ChemSpider 2D Image | Ethyl (2R)-2-methyl-3,4-pentadienoate | C8H12O2

Ethyl (2R)-2-methyl-3,4-pentadienoate

  • Molecular FormulaC8H12O2
  • Average mass140.180 Da
  • Monoisotopic mass140.083725 Da
  • ChemSpider ID34995796

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Méthyl-3,4-pentadiénoate d'éthyle [French] [ACD/IUPAC Name]
3,4-Pentadienoic acid, 2-methyl-, ethyl ester, (2R)- [ACD/Index Name]
Ethyl (2R)-2-methyl-3,4-pentadienoate [ACD/IUPAC Name]
Ethyl-(2R)-2-methyl-3,4-pentadienoat [German] [ACD/IUPAC Name]
262-278-1 [EINECS]
60523-21-9 [RN]
Ethyl 2-methyl-3,4-pentadienoate [ACD/IUPAC Name]
UNII-ZBL6PWV9J9

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

Density: 0.9±0.1 g/cm3
Boiling Point: 172.6±10.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.9±3.0 kJ/mol
Flash Point: 69.3±17.4 °C
Index of Refraction: 1.426
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.19
ACD/KOC (pH 5.5): 398.92
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.19
ACD/KOC (pH 7.4): 398.92
Polar Surface Area: 26 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 16.7±3.0 dyne/cm
Molar Volume: 158.2±3.0 cm3

Click to predict properties on the Chemicalize site


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