ChemSpider 2D Image | 3-Chloro-2-methyl-1-propanethiol | C4H9ClS

3-Chloro-2-methyl-1-propanethiol

  • Molecular FormulaC4H9ClS
  • Average mass124.632 Da
  • Monoisotopic mass124.011345 Da
  • ChemSpider ID32995490

More details:

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

1-Propanethiol, 3-chloro-2-methyl- [ACD/Index Name]
3-Chlor-2-methyl-1-propanthiol [German] [ACD/IUPAC Name]
3-Chloro-2-methyl-1-propanethiol [ACD/IUPAC Name]
3-Chloro-2-méthyl-1-propanethiol [French] [ACD/IUPAC Name]
266692-35-7 [RN]
MFCD19233931

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

Density: 1.0±0.1 g/cm3
Boiling Point: 157.3±23.0 °C at 760 mmHg
Vapour Pressure: 3.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.8±3.0 kJ/mol
Flash Point: 53.8±22.0 °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: 2.02
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.28
ACD/KOC (pH 5.5): 524.78
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.17
ACD/KOC (pH 7.4): 523.46
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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