ChemSpider 2D Image | S-Butyl 2-methylbutanethioate | C9H18OS

S-Butyl 2-methylbutanethioate

  • Molecular FormulaC9H18OS
  • Average mass174.304 Da
  • Monoisotopic mass174.107834 Da
  • ChemSpider ID28691051

More details:

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

2-Méthylbutanethioate de S-butyle [French] [ACD/IUPAC Name]
Butanethioic acid, 2-methyl-, S-butyl ester [ACD/Index Name]
S-Butyl 2-methylbutanethioate [ACD/IUPAC Name]
S-Butyl-2-methylbutanthioat [German] [ACD/IUPAC Name]
88525-36-4 [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: 223.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.9±3.0 kJ/mol
Flash Point: 77.6±12.3 °C
Index of Refraction: 1.461
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.22
ACD/KOC (pH 5.5): 2357.53
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 361.22
ACD/KOC (pH 7.4): 2357.53
Polar Surface Area: 42 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 30.6±3.0 dyne/cm
Molar Volume: 188.6±3.0 cm3

Click to predict properties on the Chemicalize site


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