ChemSpider 2D Image | S-Ethyl 2-methylpentanethioate | C8H16OS

S-Ethyl 2-methylpentanethioate

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID28700535

More details:

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

2-Méthylpentanethioate de S-éthyle [French] [ACD/IUPAC Name]
Pentanethioic acid, 2-methyl-, S-ethyl ester [ACD/Index Name]
S-Ethyl 2-methylpentanethioate [ACD/IUPAC Name]
S-Ethyl-2-methylpentanthioat [German] [ACD/IUPAC Name]
89375-03-1 [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): 3.23
ACD/BCF (pH 5.5): 168.93
ACD/KOC (pH 5.5): 1368.36
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.93
ACD/KOC (pH 7.4): 1368.36
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


Advertisement