ChemSpider 2D Image | Hexyl (2S,3Z)-2-methyl-3-pentenoate | C12H22O2

Hexyl (2S,3Z)-2-methyl-3-pentenoate

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID34989393

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S,3Z)-2-Méthyl-3-penténoate d'hexyle [French] [ACD/IUPAC Name]
3-Pentenoic acid, 2-methyl-, hexyl ester, (2S,3Z)- [ACD/Index Name]
Hexyl (2S,3Z)-2-methyl-3-pentenoate [ACD/IUPAC Name]
Hexyl-(2S,3Z)-2-methyl-3-pentenoat [German] [ACD/IUPAC Name]
58625-94-8 [RN]
HEXYL 2-METHYL-3&4-PENTENOATE
HEXYL 2-METHYL-3-PENTENOATE (3Z)-
UNII-BHY75KHC9O
UNII-LSG6XY0745

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

Density: 0.9±0.1 g/cm3
Boiling Point: 247.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 80.4±17.1 °C
Index of Refraction: 1.443
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1275.38
ACD/KOC (pH 5.5): 5815.88
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1275.38
ACD/KOC (pH 7.4): 5815.88
Polar Surface Area: 26 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 224.1±3.0 cm3

Click to predict properties on the Chemicalize site


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