ChemSpider 2D Image | 1-Isocyanato-2-(~2~H_3_)methyl(~2~H_4_)benzene | C8D7NO

1-Isocyanato-2-(2H3)methyl(2H4)benzene

  • Molecular FormulaC8D7NO
  • Average mass140.190 Da
  • Monoisotopic mass140.096695 Da
  • ChemSpider ID24533331

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Isocyanato-2-(2H3)methyl(2H4)benzene [ACD/IUPAC Name]
1-Isocyanato-2-(2H3)méthyl(2H4)benzène [French] [ACD/IUPAC Name]
1-Isocyanato-2-(2H3)methyl(2H4)benzol [German] [ACD/IUPAC Name]
Benzene-1,2,3,4-d4, 5-isocyanato-6-(methyl-d3)- [ACD/Index Name]
1219802-73-9 [RN]
Isocyanic Acid, 2-Tolyl Ester
o-Isocyanato Toluene
o-Tolyl-d7 Isocyanate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 185.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 92.2±0.0 °C
Index of Refraction: 1.519
Molar Refractivity: 40.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.40
ACD/KOC (pH 5.5): 818.52
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.40
ACD/KOC (pH 7.4): 818.52
Polar Surface Area: 29 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 35.4±7.0 dyne/cm
Molar Volume: 133.7±7.0 cm3

Click to predict properties on the Chemicalize site


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