ChemSpider 2D Image | P-Tolyacetonitrile | C9H9N

P-Tolyacetonitrile

  • Molecular FormulaC9H9N
  • Average mass131.174 Da
  • Monoisotopic mass131.073502 Da
  • ChemSpider ID21159744

More details:

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

(4-Methylphenyl)acetonitril [German] [ACD/IUPAC Name]
(4-Methylphenyl)acetonitrile [ACD/IUPAC Name]
(4-Méthylphényl)acétonitrile [French] [ACD/IUPAC Name]
220-963-2 [EINECS]
2947-61-7 [RN]
4-Methylbenzyl cyanide
4-methylphenylacetonitrile
Benzeneacetonitrile, 4-methyl- [ACD/Index Name]
MFCD00001922 [MDL number]
P-Tolyacetonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

89970_FLUKA [DBID]
CCRIS 4693 [DBID]
M31651_ALDRICH [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 242.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 47.9±3.0 kJ/mol
Flash Point: 106.1±0.0 °C
Index of Refraction: 1.527
Molar Refractivity: 40.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.32
ACD/KOC (pH 5.5): 233.90
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.32
ACD/KOC (pH 7.4): 233.90
Polar Surface Area: 24 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 131.9±3.0 cm3

Click to predict properties on the Chemicalize site


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