ChemSpider 2D Image | 4-(~2~H)Hydroxy-3-(~2~H_2_)methyl-5-(~2~H_3_)methyl(~2~H_2_)benzonitrile | C9HD8NO

4-(2H)Hydroxy-3-(2H2)methyl-5-(2H3)methyl(2H2)benzonitrile

  • Molecular FormulaC9HD8NO
  • Average mass155.223 Da
  • Monoisotopic mass155.118622 Da
  • ChemSpider ID31046212

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(2H)Hydroxy-3-(2H2)methyl-5-(2H3)methyl(2H2)benzonitril [German] [ACD/IUPAC Name]
4-(2H)Hydroxy-3-(2H2)methyl-5-(2H3)methyl(2H2)benzonitrile [ACD/IUPAC Name]
4-(2H)Hydroxy-3-(2H2)méthyl-5-(2H3)méthyl(2H2)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,6-d2, 4-(hydroxy-d)-3-(methyl-d2)-5-(methyl-d3)- [ACD/Index Name]
1142096-16-9 [RN]
3,5-Dimethyl-4-hydroxybenzonitrile-d8

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

Density: 1.1±0.1 g/cm3
Boiling Point: 310.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 141.7±24.6 °C
Index of Refraction: 1.564
Molar Refractivity: 42.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.76
ACD/KOC (pH 5.5): 657.99
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 56.77
ACD/KOC (pH 7.4): 614.74
Polar Surface Area: 44 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 129.4±5.0 cm3

Click to predict properties on the Chemicalize site


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