ChemSpider 2D Image | 4-Chloro-1-butanethiol | C4H9ClS

4-Chloro-1-butanethiol

  • Molecular FormulaC4H9ClS
  • Average mass124.632 Da
  • Monoisotopic mass124.011345 Da
  • ChemSpider ID15254460

More details:

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

1-Butanethiol, 4-chloro- [ACD/Index Name]
4-Chlor-1-butanthiol [German] [ACD/IUPAC Name]
4-Chloro-1-butanethiol [ACD/IUPAC Name]
4-Chloro-1-butanethiol [French] [ACD/IUPAC Name]
13012-59-4 [RN]
3-CHLOROPROPYLMETHYLSULFANE
4-CHLOROBUTANE-1-THIOL
98019-02-4 [RN]
MFCD19232825

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

Density: 1.0±0.1 g/cm3
Boiling Point: 174.6±23.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.4±3.0 kJ/mol
Flash Point: 62.6±22.0 °C
Index of Refraction: 1.468
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.73
ACD/KOC (pH 5.5): 485.56
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.68
ACD/KOC (pH 7.4): 484.97
Polar Surface Area: 39 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 120.0±3.0 cm3

Click to predict properties on the Chemicalize site


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