ChemSpider 2D Image | S-Propyl 2-methylbutanethioate | C8H16OS

S-Propyl 2-methylbutanethioate

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID28691050

More details:

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

2-Méthylbutanethioate de S-propyle [French] [ACD/IUPAC Name]
Butanethioic acid, 2-methyl-, S-propyl ester [ACD/Index Name]
S-Propyl 2-methylbutanethioate [ACD/IUPAC Name]
S-Propyl-2-methylbutanthioat [German] [ACD/IUPAC Name]
88525-35-3 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 202.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.9±3.0 kJ/mol
Flash Point: 67.3±12.3 °C
Index of Refraction: 1.460
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 187.68
ACD/KOC (pH 5.5): 1475.42
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 187.68
ACD/KOC (pH 7.4): 1475.42
Polar Surface Area: 42 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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