Success!

Failed to copy.

Pyridine
110-86-1 | DTXSID9021924

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID9021924'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C5H5N

Average Mass: 79.102 g/mol

Monoisotopic Mass: 79.042199 g/mol

Structural Identifiers

IUPAC Name: Pyridine

SMILES: C1=CC=NC=C1

InChI String: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID9021924 (accessed June 23, 2018), Pyridine

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

0.65 (2)

6.54e-01 (5)

0.65

7.26e-01

0.65

3.56e-01 to 0.8

-

Water Solubility

12.6 (1)

3.13 (4)

-

1.41

12.6

4.63e-01 to 9.23

mol/L

Density

-

9.88e-01 (2)

-

9.88e-01

-

9.57e-01 to 1.02

g/cm^3

Flash Point

-

25.1 (2)

-

25.1

-

20.0 to 30.3

°C

Melting Point

-41.9 (8)

-17.4 (4)

-42.0

-21.2

-42.2 to -41.6

-44.5 to 17.2

°C

Boiling Point

115 (7)

118 (5)

115

115

115 to 116

113 to 124

°C

Surface Tension

-

34.4 (2)

-

34.4

-

33.5 to 35.3

dyn/cm

Thermal Conductivity

-

150 (1)

- - - -

mW/(m*K)

Vapor Pressure

20.8 (1)

97.9 (4)

-

20.2

20.8

17.4 to 334

mmHg

Viscosity

-

9.57e-01 (1)

- - - -

cP

LogKoa: Octanol-Air

-

3.32 (1)

- - - - -

Henry's Law

1.10e-05 (1)

9.63e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.50 (1)

- - - - -

Molar Refractivity

-

24.3 (1)

- - - -

cm^3

Molar Volume

-

82.7 (1)

- - - -

cm^3

Polarizability

-

9.65 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

0.65 (2)

0.65

0.65

Predicted

6.54e-01 (5)

7.26e-01

3.56e-01 to 0.8

Experimental

Source

Result

Egon Willighagen

0.65

PhysPropNCCT

0.65

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.8

Not Available

Not Available

NICEATM

3.56e-01

Not Available

Available

ACD/Labs Consensus

6.51e-01

Not Available

Not Available

ACD/Labs

7.26e-01

Not Available

Not Available

OPERA

7.36e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

12.6 (1)

-

12.6

Predicted

3.13 (4)

1.41

4.63e-01 to 9.23

Experimental

Source

Result

PhysPropNCCT

12.6 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.23 mol/L

Not Available

Not Available

NICEATM

4.63e-01 mol/L

Not Available

Available

TEST

1.65 mol/L

TEST Report

Not Available

OPERA

1.18 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.88e-01 (2)

9.88e-01

9.57e-01 to 1.02

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

9.57e-01 g/cm^3

Not Available

Not Available

TEST

1.02 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

25.1 (2)

25.1

20.0 to 30.3

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

20.0 °C

Not Available

Not Available

TEST

30.3 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-41.9 (8)

-42.0

-42.2 to -41.6

Predicted

-17.4 (4)

-21.2

-44.5 to 17.2

Experimental

Source

Result

NIOSH

-42.2 °C

Jean-Claude Bradley Open Melting Point Dataset

-41.6 °C

Jean-Claude Bradley Open Melting Point Dataset

-42.0 °C

Oxford University Chemical Safety Data (No longer updated)

-42.0 °C

SynQuest

-42.0 °C

Alfa Aesar

-42.0 °C

Alfa Aesar

-42.0 °C

PhysPropNCCT

-41.6 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-44.5 °C

Not Available

Not Available

NICEATM

17.2 °C

Not Available

Available

TEST

-2.57 °C

TEST Report

Not Available

OPERA

-39.9 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

115 (7)

115

115 to 116

Predicted

118 (5)

115

113 to 124

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

115 °C

NIOSH

116 °C

Alfa Aesar

115 °C

Alfa Aesar

115 °C

SynQuest

115 °C

SynQuest

116 °C

PhysPropNCCT

115 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

113 °C

Not Available

Not Available

NICEATM

113 °C

Not Available

Available

ACD/Labs

115 °C

Not Available

Not Available

TEST

124 °C

TEST Report

Not Available

OPERA

123 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

34.4 (2)

34.4

33.5 to 35.3

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.3 dyn/cm

Not Available

Not Available

TEST

33.5 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

150 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

150 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

20.8 (1)

-

20.8

Predicted

97.9 (4)

20.2

17.4 to 334

Experimental

Source

Result

PhysPropNCCT

20.8 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

334 mmHg

Not Available

Available

ACD/Labs

22.8 mmHg

Not Available

Not Available

TEST

17.4 mmHg

TEST Report

Not Available

OPERA

17.7 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

9.57e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

9.57e-01 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.32 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.32

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

1.10e-05 (1)

-

-
Predicted

9.63e-06 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.10e-05 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.63e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.50 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.50

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

24.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

24.3 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

82.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

82.7 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

9.65 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

9.65 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

39.8 (1)

30.6 (2)

-

30.6

39.8

28.9 to 32.2

L/kg

Atmos. Hydroxylation Rate

3.70e-13 (1)

1.16e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.75 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

9.90e-02 (1)

- - - -

days

Bioaccumulation Factor

-

1.25 (1)

- - - - -

Bioconcentration Factor

-

10.9 (5)

-

3.18

-

1.25 to 42.6

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

39.8 (1)

-

39.8

Predicted

30.6 (2)

30.6

28.9 to 32.2

Experimental

Source

Result

PhysPropNCCT

39.8 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

28.9 L/kg

Not Available

Not Available

OPERA

32.2 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

3.70e-13 (1)

-

-
Predicted

1.16e-12 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.70e-13 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.16e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.75 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.75 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

9.90e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.90e-02 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

1.25 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.25

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

10.9 (5)

3.18

1.25 to 42.6

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.25

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

42.6

Not Available

Available

TEST

3.18

TEST Report

Not Available

OPERA

4.37

OPERA Model Report

Available

Found 31 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Pyridine
110-86-1 Active CAS-RN
Azine
UN 1282 (DOT)
Azabenzene
NSC 141574
NSC 406123
piridina
Pyridin
UN 1282
Caswell No. 717
EINECS 203-809-9
EPA Pesticide Chemical Code 069202
FEMA No. 2966
FEMA Number 2966
NCI-C55301
RCRA waste number U196
UNII-NH9L3PP67S FDA Registry Number
Pirydyna
Tritisan
py
152758-95-7 Deleted CAS-RN
163392-20-9 Deleted CAS-RN
45410-39-7 Deleted CAS-RN
62301-32-0 Deleted CAS-RN
6999-00-4 Deleted CAS-RN
733733-47-6 Deleted CAS-RN
82005-06-9 Deleted CAS-RN
85404-19-9 Deleted CAS-RN
85404-20-2 Deleted CAS-RN
857961-06-9 Deleted CAS-RN
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound
Print Page

Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

698th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.43e-06

1.96e-04

Ages 12-19

1.40e-06

5.96e-05

Ages 20-65

1.28e-06

6.68e-05

Ages 65+

1.15e-06

9.87e-05

BMI > 30

1.36e-06

9.32e-05

BMI < 30

1.56e-06

9.63e-05

Repro. Age Females

1.19e-06

6.82e-05

Females

1.15e-06

6.76e-05

Males

1.64e-06

9.49e-05

Total

1.43e-06

1.26e-04

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Executive Summary

Imgnotfound