Found 3 results

Search term: FDPCGENVCAREOA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2S)-2-propyl-4-pentenoate | C9H16O2

Methyl (2S)-2-propyl-4-pentenoate

  • Molecular FormulaC9H16O2
  • Average mass156.222 Da
  • Monoisotopic mass156.115036 Da
  • ChemSpider ID113062090

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Propyl-4-penténoate de méthyle [French] [ACD/IUPAC Name]
4-Pentenoic acid, 2-propyl-, methyl ester, (2S)- [ACD/Index Name]
Methyl (2S)-2-propyl-4-pentenoate [ACD/IUPAC Name]
Methyl-(2S)-2-propyl-4-pentenoat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 165.6±9.0 °C at 760 mmHg
Vapour Pressure: 1.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.2±3.0 kJ/mol
Flash Point: 55.9±12.3 °C
Index of Refraction: 1.427
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.67
ACD/KOC (pH 5.5): 1132.32
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.67
ACD/KOC (pH 7.4): 1132.32
Polar Surface Area: 26 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 27.0±3.0 dyne/cm
Molar Volume: 176.0±3.0 cm3

Click to predict properties on the Chemicalize site


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