ChemSpider 2D Image | [2-Isothiocyanato(~2~H_4_)ethyl]benzene | C9H5D4NS

[2-Isothiocyanato(2H4)ethyl]benzene

  • Molecular FormulaC9H5D4NS
  • Average mass167.264 Da
  • Monoisotopic mass167.070679 Da
  • ChemSpider ID24606745

  • Non-standard isotope - Non-standard isotope

More details:

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

[2-Isothiocyanato(2H4)ethyl]benzene [ACD/IUPAC Name]
[2-Isothiocyanato(2H4)éthyl]benzène [French] [ACD/IUPAC Name]
[2-Isothiocyanato(2H4)ethyl]benzol [German] [ACD/IUPAC Name]
Benzene, (2-isothiocyanatoethyl-1,1,2,2-d4)- [ACD/Index Name]
1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 278.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 124.4±29.3 °C
Index of Refraction: 1.552
Molar Refractivity: 51.9±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 266.24
ACD/KOC (pH 5.5): 1895.05
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 266.24
ACD/KOC (pH 7.4): 1895.05
Polar Surface Area: 44 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 35.4±7.0 dyne/cm
Molar Volume: 162.2±7.0 cm3

Click to predict properties on the Chemicalize site


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