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Tetrachloroethylene
127-18-4 | DTXSID2021319

Searched by Approved Name: Found 1 result for 'Tetrachloroethylene'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C2Cl4

Average Mass: 165.82 g/mol

Monoisotopic Mass: 163.875411 g/mol

Structural Identifiers

IUPAC Name: Tetrachloroethene

SMILES: ClC(Cl)=C(Cl)Cl

InChI String: InChI=1S/C2Cl4/c3-1(4)2(5)6

InChIKey: CYTYCFOTNPOANT-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID2021319 (accessed April 26, 2018), Tetrachloroethylene

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

3.40 (1)

3.10 (5)

-

2.97

3.40

2.95 to 3.35

-

Water Solubility

1.21e-03 (1)

1.60e-03 (4)

-

1.41e-03

1.21e-03

4.12e-04 to 3.18e-03

mol/L

Density

-

1.58 (2)

-

1.58

-

1.51 to 1.65

g/cm^3

Flash Point

-

31.2 (2)

-

31.2

-

27.4 to 35.0

°C

Melting Point

-11.6 (9)

-46.8 (4)

-22.0

-55.6

-22.3 to 69.0

-62.6 to -13.3

°C

Boiling Point

121 (6)

119 (5)

121

116

121

114 to 130

°C

Surface Tension

-

35.6 (1)

- - - -

dyn/cm

Thermal Conductivity

-

102 (1)

- - - -

mW/(m*K)

Vapor Pressure

18.5 (1)

21.1 (4)

-

18.3

18.5

5.24 to 42.6

mmHg

Viscosity

-

7.16e-01 (1)

- - - -

cP

LogKoa: Octanol-Air

3.48 (1)

3.86 (1)

- - - - -

Henry's Law

1.77e-02 (1)

1.73e-02 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.52 (1)

- - - - -

Molar Refractivity

-

30.5 (1)

- - - -

cm^3

Molar Volume

-

100 (1)

- - - -

cm^3

Polarizability

-

12.1 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

3.40 (1)

-

3.40

Predicted

3.10 (5)

2.97

2.95 to 3.35

Experimental

Source

Result

PhysPropNCCT

3.40

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.97

Not Available

Not Available

NICEATM

2.95

Not Available

Available

ACD/Labs Consensus

3.30

Not Available

Not Available

ACD/Labs

2.95

Not Available

Not Available

OPERA

3.35

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

1.21e-03 (1)

-

1.21e-03

Predicted

1.60e-03 (4)

1.41e-03

4.12e-04 to 3.18e-03

Experimental

Source

Result

PhysPropNCCT

1.21e-03 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.84e-04 mol/L

Not Available

Not Available

NICEATM

4.12e-04 mol/L

Not Available

Available

TEST

3.18e-03 mol/L

TEST Report

Not Available

OPERA

2.33e-03 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.58 (2)

1.58

1.51 to 1.65

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.65 g/cm^3

Not Available

Not Available

TEST

1.51 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

31.2 (2)

31.2

27.4 to 35.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

27.4 °C

Not Available

Not Available

TEST

35.0 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-11.6 (9)

-22.0

-22.3 to 69.0

Predicted

-46.8 (4)

-55.6

-62.6 to -13.3

Experimental

Source

Result

NIOSH

-18.9 °C

Jean-Claude Bradley Open Melting Point Dataset

-22.3 °C

Jean-Claude Bradley Open Melting Point Dataset

-22.0 °C

Biosynth

69.0 °C

SynQuest

-22.0 °C

SynQuest

-22.0 °C

Alfa Aesar

-22.0 °C

Alfa Aesar

-22.0 °C

PhysPropNCCT

-22.3 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-60.6 °C

Not Available

Not Available

NICEATM

-62.6 °C

Not Available

Available

TEST

-50.7 °C

TEST Report

Not Available

OPERA

-13.3 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

121 (6)

121

121

Predicted

119 (5)

116

114 to 130

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

121 °C

NIOSH

121 °C

Alfa Aesar

121 °C

Alfa Aesar

121 °C

SynQuest

121 °C

PhysPropNCCT

121 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

114 °C

Not Available

Not Available

NICEATM

115 °C

Not Available

Available

ACD/Labs

119 °C

Not Available

Not Available

TEST

116 °C

TEST Report

Not Available

OPERA

130 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

35.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.6 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

102 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

102 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

18.5 (1)

-

18.5

Predicted

21.1 (4)

18.3

5.24 to 42.6

Experimental

Source

Result

PhysPropNCCT

18.5 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

42.6 mmHg

Not Available

Available

ACD/Labs

19.3 mmHg

Not Available

Not Available

TEST

17.3 mmHg

TEST Report

Not Available

OPERA

5.24 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

7.16e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

7.16e-01 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental

3.48 (1)

-

-
Predicted

3.86 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.48

Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.86

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

1.77e-02 (1)

-

-
Predicted

1.73e-02 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.77e-02 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.73e-02 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.52 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.52

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

30.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

30.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

100 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

100 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

12.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

12.1 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

251 (1)

531 (2)

-

531

251

170 to 891

L/kg

Atmos. Hydroxylation Rate

1.67e-13 (1)

2.29e-13 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

21.4 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

1.32e-01 (1)

1.57e-01 (1)

- - - -

days

Bioaccumulation Factor

-

46.0 (1)

- - - - -

Bioconcentration Factor

52.5 (1)

46.8 (5)

-

42.2

52.5

24.2 to 81.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

251 (1)

-

251

Predicted

531 (2)

531

170 to 891

Experimental

Source

Result

PhysPropNCCT

251 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

891 L/kg

Not Available

Not Available

OPERA

170 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

1.67e-13 (1)

-

-
Predicted

2.29e-13 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.67e-13 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.29e-13 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

21.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

21.4 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental

1.32e-01 (1)

-

-
Predicted

1.57e-01 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.32e-01 days

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.57e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

46.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

46.0

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental

52.5 (1)

-

52.5

Predicted

46.8 (5)

42.2

24.2 to 81.3

Experimental

Source

Result

PhysPropNCCT

52.5

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

46.0

Not Available

Not Available

EPISUITE

81.3

Not Available

Not Available

NICEATM

40.3

Not Available

Available

TEST

24.2

TEST Report

Not Available

OPERA

42.2

OPERA Model Report

Available

Found 85 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Tetrachloroethylene
Tetrachloroethene
Ethene, 1,1,2,2-tetrachloro-
127-18-4 Active CAS-RN
TCE
PERC
Ethene, 1,​1,​2,​2-​tetrachloro-
4-01-00-00715 Beilstein Registry Number
Ethene, tetrachloro-
1,1,2,2-Tetrachloroethene
1,1,2,2-TETRACHLOROETHYLENE
Ankilostin
Asahi Perchlor
Didakene
Dilatin PT
Ethylene tetrachloride
Ethylene, tetrachloro-
Fedal-Un
NSC 9777
PERCHLORAETHYLEN
Perchlorethylene
Perchloroethene
PERCHLOROETHYLENE
Perclene
Perklone
Tetrachlorethylen
Tetrachlorethylene
Tetrachloroethene
tetracloroetileno
Tetraguer
Tetraleno
Tetropil
UN 1897
BRN 1361721
Caswell No. 827
EINECS 204-825-9
EPA Pesticide Chemical Code 078501
NCI-C04580
Percosolv
Percloroetilene
UNII-TJ904HH8SN FDA Registry Number
1,1,2, 2-Tetrachloroethylene
1,1,2,2-Tetrachloroethylene (ACD/Name 4.0)
Antisal 1
Antisol 1
Carbon bichloride
Carbon dichloride
Czterochloroetylen
Czterochloroetylen(POLISH)
Dow-per
Nema
Nema (VAN)
Nema, veterinary
PERK
PerSec
Perawin
Perchloorethyleen, per
Perchloorethyleen, per(DUTCH)
Perchlor
Perchloraethylen, per
Perchloraethylen, per(GERMAN)
Perchlorethylene, per
Perchlorethylene, per(FRENCH)
Perclene D
Perclene TG
Percloroetilene
Percloroetilene(ITALIAN)
Percosolve
RCRA Waste Number U210
Tetlen
Tetracap
Tetrachlooretheen
Tetrachlooretheen(DUTCH)
Tetrachloraethen
Tetrachloraethen(GERMAN)
Tetrachlorathen
Tetrachloro-Ethene
Tetrachloro-Ethylene
Tetracloroetene
Tetracloroetene(ITALIAN)
Tetralex
Tetravec
Tetroguer
ethylene tetrachloride
Tetrachloroethylene (PERC)
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

447th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

9.93e-06

8.94e-04

Ages 12-19

6.92e-06

3.66e-04

Ages 20-65

5.03e-06

2.98e-04

Ages 65+

4.21e-06

3.60e-04

BMI > 30

4.87e-06

3.35e-04

BMI < 30

6.57e-06

4.87e-04

Repro. Age Females

2.92e-06

2.71e-04

Females

3.47e-06

3.42e-04

Males

8.41e-06

7.15e-04

Total

4.59e-06

4.36e-04

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Executive Summary

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