ChemSpider 2D Image | MFCD06204372 | C7H14O2S

MFCD06204372

  • Molecular FormulaC7H14O2S
  • Average mass162.250 Da
  • Monoisotopic mass162.071457 Da
  • ChemSpider ID20039114

More details:

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

233665-96-8 [RN]
2OV1Y1&S1 [WLN]
3-(Méthylsulfanyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(methylthio)-, ethyl ester [ACD/Index Name]
Ethyl 3-(methylsulfanyl)butanoate [ACD/IUPAC Name]
Ethyl 3-(methythio)butanoate
Ethyl-3-(methylsulfanyl)butanoat [German] [ACD/IUPAC Name]
MFCD06204372
BUTANOIC ACID,3-(METHYLTHIO)-, ETHYL ESTER
Ethyl 3-(methylthio)butanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

K3KKZ020B3 [DBID]
UNII:K3KKZ020B3 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 213.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 85.7±10.6 °C
Index of Refraction: 1.458
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.91
ACD/KOC (pH 5.5): 337.57
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.91
ACD/KOC (pH 7.4): 337.57
Polar Surface Area: 52 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 161.9±3.0 cm3

Click to predict properties on the Chemicalize site


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