ChemSpider 2D Image | Glutaronitrile | C5H6N2

Glutaronitrile

  • Molecular FormulaC5H6N2
  • Average mass94.115 Da
  • Monoisotopic mass94.053101 Da
  • ChemSpider ID21106442

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Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Glutaronitril [German] [ACD/IUPAC Name]
Glutaronitrile [ACD/IUPAC Name] [Wiki]
Glutaronitrile [French] [ACD/IUPAC Name]
Pentanedinitrile [ACD/Index Name] [Wiki]
[544-13-8]
1, 3-Dicyanopropane
1,3-Dicyanopropane
1,3-Trimethylenedinitrile
208-861-6 [EINECS]
4-02-00-01941 (Beilstein Handbook Reference) [Beilstein]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

01ZI68F3CQ [DBID]
130621_ALDRICH [DBID]
49730_FLUKA [DBID]
AI3-07024 [DBID]
BRN 1738385 [DBID]
NSC 3807 [DBID]
NSC3807 [DBID]
UNII:01ZI68F3CQ [DBID]
UNII-01ZI68F3CQ [DBID]
ZINC01672862 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 287.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 148.4±13.7 °C
Index of Refraction: 1.425
Molar Refractivity: 25.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.29
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.29
Polar Surface Area: 48 Å2
Polarizability: 9.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 97.8±3.0 cm3

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