ChemSpider 2D Image | 1-(~2~H_9_)Butanethiol | C4HD9S

1-(2H9)Butanethiol

  • Molecular FormulaC4HD9S
  • Average mass99.243 Da
  • Monoisotopic mass99.106812 Da
  • ChemSpider ID24532262

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H9)Butane-1-thiol
1-(2H9)Butanethiol [ACD/IUPAC Name]
1-(2H9)Butanethiol [French] [ACD/IUPAC Name]
1-(2H9)Butanthiol [German] [ACD/IUPAC Name]
1-Butane-d9-thiol [ACD/Index Name]
1-Butane-d9-thiol
352431-09-5 [RN]
Butyl Mercaptan
n-butyl mercaptan

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

Density: 0.8±0.1 g/cm3
Boiling Point: 98.2±3.0 °C at 760 mmHg
Vapour Pressure: 46.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.2±0.0 kJ/mol
Flash Point: 12.8±0.0 °C
Index of Refraction: 1.437
Molar Refractivity: 28.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.06
ACD/KOC (pH 5.5): 318.67
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.04
ACD/KOC (pH 7.4): 318.44
Polar Surface Area: 39 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 25.1±3.0 dyne/cm
Molar Volume: 108.6±3.0 cm3

Click to predict properties on the Chemicalize site


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