ChemSpider 2D Image | 2-Chloro-1-butanethiol | C4H9ClS

2-Chloro-1-butanethiol

  • Molecular FormulaC4H9ClS
  • Average mass124.632 Da
  • Monoisotopic mass124.011345 Da
  • ChemSpider ID60605171

More details:

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

1-Butanethiol, 2-chloro- [ACD/Index Name]
2-Chlor-1-butanthiol [German] [ACD/IUPAC Name]
2-Chloro-1-butanethiol [ACD/IUPAC Name]
2-Chloro-1-butanethiol [French] [ACD/IUPAC Name]
1379178-71-8 [RN]
MFCD20628845

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

Density: 1.0±0.1 g/cm3
Boiling Point: 151.9±13.0 °C at 760 mmHg
Vapour Pressure: 4.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.3±3.0 kJ/mol
Flash Point: 51.0±19.2 °C
Index of Refraction: 1.465
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.47
ACD/KOC (pH 5.5): 401.57
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.18
ACD/KOC (pH 7.4): 397.70
Polar Surface Area: 39 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 120.4±3.0 cm3

Click to predict properties on the Chemicalize site


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