ChemSpider 2D Image | 1-Isothiocyanato-2,2-dimethylbutane | C7H13NS

1-Isothiocyanato-2,2-dimethylbutane

  • Molecular FormulaC7H13NS
  • Average mass143.250 Da
  • Monoisotopic mass143.076874 Da
  • ChemSpider ID52686375

More details:

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

1-Isothiocyanato-2,2-dimethylbutan [German] [ACD/IUPAC Name]
1-Isothiocyanato-2,2-dimethylbutane [ACD/IUPAC Name]
1-Isothiocyanato-2,2-diméthylbutane [French] [ACD/IUPAC Name]
Butane, 1-isothiocyanato-2,2-dimethyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 199.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.8±3.0 kJ/mol
Flash Point: 69.3±26.5 °C
Index of Refraction: 1.473
Molar Refractivity: 45.2±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.56
ACD/KOC (pH 5.5): 1709.55
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.56
ACD/KOC (pH 7.4): 1709.55
Polar Surface Area: 44 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 26.5±7.0 dyne/cm
Molar Volume: 161.1±7.0 cm3

Click to predict properties on the Chemicalize site


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