ChemSpider 2D Image | butyl ?-(methylthio)acrylate | C8H14O2S

butyl ?-(methylthio)acrylate

  • Molecular FormulaC8H14O2S
  • Average mass174.261 Da
  • Monoisotopic mass174.071457 Da
  • ChemSpider ID32698859

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(Méthylsulfanyl)acrylate de butyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(methylthio)-, butyl ester, (2E)- [ACD/Index Name]
77105-53-4 [RN]
Butyl (2E)-3-(methylsulfanyl)acrylate [ACD/IUPAC Name]
butyl ?-(methylthio)acrylate
BUTYL β-(METHYLTHIO)ACRYLATE
Butyl-(2E)-3-(methylsulfanyl)acrylat [German] [ACD/IUPAC Name]
Butyl β-(methylthio)acrylate

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

1273K31113 [DBID]
UNII:1273K31113 [DBID]
UNII-1273K31113 [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: 241.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 101.3±10.6 °C
Index of Refraction: 1.482
Molar Refractivity: 48.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.56
ACD/KOC (pH 5.5): 421.14
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.56
ACD/KOC (pH 7.4): 421.14
Polar Surface Area: 52 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 171.7±3.0 cm3

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