ChemSpider 2D Image | S-Isobutyl 3-methylbutanethioate | C9H18OS

S-Isobutyl 3-methylbutanethioate

  • Molecular FormulaC9H18OS
  • Average mass174.304 Da
  • Monoisotopic mass174.107834 Da
  • ChemSpider ID23349493

More details:






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

3-Méthylbutanethioate de S-isobutyle [French] [ACD/IUPAC Name]
Butanethioic acid, 3-methyl-, S-(2-methylpropyl) ester [ACD/Index Name]
S-Isobutyl 3-methylbutanethioate [ACD/IUPAC Name]
S-Isobutyl-3-methylbutanthioat [German] [ACD/IUPAC Name]
(±)-ISOBUTYL 3-METHYLTHIOBUTYRATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 217.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.4±3.0 kJ/mol
Flash Point: 73.9±12.3 °C
Index of Refraction: 1.459
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.70
ACD/KOC (pH 5.5): 2018.09
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.70
ACD/KOC (pH 7.4): 2018.09
Polar Surface Area: 42 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 188.9±3.0 cm3

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