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Naphthalene
91-20-3 | DTXSID8020913

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

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Wikipedia
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Intrinsic Properties

Molecular Formula: C10H8

Average Mass: 128.174 g/mol

Monoisotopic Mass: 128.062600 g/mol

Structural Identifiers

IUPAC Name: Naphthalene

SMILES: C1=CC2=CC=CC=C2C=C1

InChI String: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

InChIKey: UFWIBTONFRDIAS-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/DTXSID8020913 (accessed April 24, 2018), Naphthalene

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

3.30 (2)

3.16 (5)

3.30

3.37

3.30

2.44 to 3.45

-

Water Solubility

2.42e-04 (1)

5.04e-04 (4)

-

3.83e-04

2.42e-04

1.42e-04 to 1.11e-03

mol/L

Density

-

1.03 (2)

-

1.03

-

1.03 to 1.04

g/cm^3

Flash Point

-

82.9 (2)

-

82.9

-

78.9 to 86.9

°C

Melting Point

80.3 (12)

33.4 (4)

80.8

39.6

77.0 to 83.0

5.01 to 49.2

°C

Boiling Point

218 (5)

221 (5)

218

224

218

195 to 233

°C

Surface Tension

-

39.1 (2)

-

39.1

-

38.0 to 40.2

dyn/cm

Thermal Conductivity

-

130 (1)

- - - -

mW/(m*K)

Vapor Pressure

8.50e-02 (1)

9.74e-02 (4)

-

8.76e-02

8.50e-02

5.53e-02 to 1.59e-01

mmHg

Viscosity

-

2.75 (1)

- - - -

cP

LogKoa: Octanol-Air

5.19 (1)

5.07 (1)

- - - - -

Henry's Law

4.40e-04 (1)

4.05e-04 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.63 (1)

- - - - -

Molar Refractivity

-

44.1 (1)

- - - -

cm^3

Molar Volume

-

124 (1)

- - - -

cm^3

Polarizability

-

17.5 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

3.30 (2)

3.30

3.30

Predicted

3.16 (5)

3.37

2.44 to 3.45

Experimental

Source

Result

Egon Willighagen

3.30

PhysPropNCCT

3.30

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.17

Not Available

Not Available

NICEATM

2.44

Not Available

Available

ACD/Labs Consensus

3.37

Not Available

Not Available

ACD/Labs

3.45

Not Available

Not Available

OPERA

3.37

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

2.42e-04 (1)

-

2.42e-04

Predicted

5.04e-04 (4)

3.83e-04

1.42e-04 to 1.11e-03

Experimental

Source

Result

PhysPropNCCT

2.42e-04 mol/L

Predicted

Source

Result

Calculation Details

QMRF

TEST

3.09e-04 mol/L

Not Available

Not Available

EPISUITE

1.11e-03 mol/L

Not Available

Not Available

NICEATM

4.57e-04 mol/L

Not Available

Available

OPERA

1.42e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.03 (2)

1.03

1.03 to 1.04

Predicted

Source

Result

Calculation Details

QMRF

TEST

1.03 g/cm^3

TEST Report

Not Available

ACD/Labs

1.04 g/cm^3

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

82.9 (2)

82.9

78.9 to 86.9

Predicted

Source

Result

Calculation Details

QMRF

TEST

86.9 °C

TEST Report

Not Available

ACD/Labs

78.9 °C

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental

80.3 (12)

80.8

77.0 to 83.0

Predicted

33.4 (4)

39.6

5.01 to 49.2

Boiling Point

Average

Median

Range

Experimental

218 (5)

218

218

Predicted

221 (5)

224

195 to 233

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

218 °C

NIOSH

218 °C

Alfa Aesar

218 °C

Alfa Aesar

218 °C

PhysPropNCCT

218 °C

Predicted

Source

Result

Calculation Details

QMRF

TEST

233 °C

TEST Report

Not Available

EPISUITE

232 °C

Not Available

Not Available

NICEATM

195 °C

Not Available

Available

ACD/Labs

221 °C

Not Available

Not Available

OPERA

224 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

39.1 (2)

39.1

38.0 to 40.2

Predicted

Source

Result

Calculation Details

QMRF

TEST

38.0 dyn/cm

TEST Report

Not Available

ACD/Labs

40.2 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

130 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

130 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

8.50e-02 (1)

-

8.50e-02

Predicted

9.74e-02 (4)

8.76e-02

5.53e-02 to 1.59e-01

Experimental

Source

Result

PhysPropNCCT

8.50e-02 mmHg

Predicted

Source

Result

Calculation Details

QMRF

TEST

5.75e-02 mmHg

Not Available

Not Available

NICEATM

1.18e-01 mmHg

Not Available

Available

ACD/Labs

1.59e-01 mmHg

Not Available

Not Available

OPERA

5.53e-02 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

2.75 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

2.75 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental

5.19 (1)

-

-
Predicted

5.07 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

5.19

Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.07

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

4.40e-04 (1)

-

-
Predicted

4.05e-04 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

4.40e-04 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.05e-04 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.63

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

44.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

44.1 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

124 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

124 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

17.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

17.5 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

912 (1)

901 (2)

-

901

912

731 to 1070

L/kg

Atmos. Hydroxylation Rate

2.16e-11 (1)

1.17e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

3.00 (1)

6.83 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

2.57 (1)

1.77 (1)

- - - -

days

Bioaccumulation Factor

-

177 (1)

- - - - -

Bioconcentration Factor

85.1 (1)

147 (5)

-

149

85.1

69.9 to 245

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

912 (1)

-

912

Predicted

901 (2)

901

731 to 1070

Experimental

Source

Result

PhysPropNCCT

912 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

731 L/kg

Not Available

Not Available

OPERA

1070 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

2.16e-11 (1)

-

-
Predicted

1.17e-11 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

2.16e-11 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.17e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental

3.00 (1)

-

-
Predicted

6.83 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.00 days

Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.83 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental

2.57 (1)

-

-
Predicted

1.77 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

2.57 days

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.77 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

177 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

177

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental

85.1 (1)

-

85.1

Predicted

147 (5)

149

69.9 to 245

Experimental

Source

Result

PhysPropNCCT

85.1

Predicted

Source

Result

Calculation Details

QMRF

TEST

245

Not Available

Not Available

EPISUITE

177

Not Available

Not Available

EPISUITE

69.9

Not Available

Not Available

NICEATM

149

Not Available

Available

OPERA

92.5

OPERA Model Report

Available

Found 34 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Naphthalene
91-20-3 Active CAS-RN
Albocarbon
Dezodorator
Moth flakes
naftaleno, puro
Naphtalene
NAPHTHALENE SCALES
Naphthalin
Naphthene
Napthalene
NSC 37565
Tar camphor
UN 2304
White tar
Caswell No. 587
EINECS 202-049-5
EPA Pesticide Chemical Code 055801
NCI-C52904
RCRA waste number U165
UNII-2166IN72UN FDA Registry Number
Naphtalinum
Naphthalinum
Camphor tar
Moth balls
Mothballs
Naftalen
Naphthalen
Naphthaline
Tolboxane
naftaleno
naftalina
naphtaline
72931-45-4 Deleted CAS-RN
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Toxics Release Inventory


Download as:

National Health and Nutrition Examination Survey (NHANES) Inferences (mg/kg-bw/day)

Lower 95th Limit

Upper 95th Limit

Median

Ages 6-11

1.96e-09

9.28e-05

2.38e-05

Ages 12-19

3.41e-09

8.09e-05

1.80e-05

Ages 20-65

3.38e-09

1.15e-04

3.61e-05

Ages 65+

1.53e-08

7.38e-05

2.74e-05

BMI > 30

1.09e-09

8.18e-05

1.89e-05

BMI < 30

3.92e-09

1.02e-04

3.32e-05

Repro. Age Females

2.49e-09

9.56e-05

2.63e-05

Females

2.46e-09

9.37e-05

2.59e-05

Males

3.10e-09

1.07e-04

3.40e-05

Total

3.91e-09

9.46e-05

2.99e-05

Download as:

72nd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.11e-04

6.63e-03

Ages 12-19

6.70e-05

4.13e-03

Ages 20-65

5.77e-05

4.59e-03

Ages 65+

4.41e-05

3.45e-03

BMI > 30

5.40e-05

2.71e-03

BMI < 30

6.28e-05

3.84e-03

Repro. Age Females

5.91e-05

5.41e-03

Females

5.98e-05

4.93e-03

Males

6.35e-05

4.05e-03

Total

7.37e-05

4.09e-03

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