ChemSpider 2D Image | (1-~2~H_1_)Ethylbenzene | C8H9D

(1-2H1)Ethylbenzene

  • Molecular FormulaC8H9D
  • Average mass107.171 Da
  • Monoisotopic mass107.084526 Da
  • ChemSpider ID73949336
  • Non-standard isotope - Non-standard isotope


More details:






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

(1-2H1)Ethylbenzene [ACD/IUPAC Name]
(1-2H1)Éthylbenzène [French] [ACD/IUPAC Name]
(1-2H1)Ethylbenzol [German] [ACD/IUPAC Name]
Benzene, ethyl-1-d- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 136.2±3.0 °C at 760 mmHg
Vapour Pressure: 9.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 35.6±0.0 kJ/mol
Flash Point: 22.2±0.0 °C
Index of Refraction: 1.497
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.36
ACD/KOC (pH 5.5): 1155.34
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.36
ACD/KOC (pH 7.4): 1155.34
Polar Surface Area: 0 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 29.1±3.0 dyne/cm
Molar Volume: 122.3±3.0 cm3

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