ChemSpider 2D Image | (3Z)-3-Hexen-1-yl (2S)-2-methylbutanoate | C11H20O2

(3Z)-3-Hexen-1-yl (2S)-2-methylbutanoate

  • Molecular FormulaC11H20O2
  • Average mass184.275 Da
  • Monoisotopic mass184.146332 Da
  • ChemSpider ID34992420

  • 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)-2-Méthylbutanoate de (3Z)-3-hexén-1-yle [French] [ACD/IUPAC Name]
(3Z)-3-Hexen-1-yl (2S)-2-methylbutanoate [ACD/IUPAC Name]
(3Z)-3-Hexen-1-yl-(2S)-2-methylbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2S)- [ACD/Index Name]
258-517-4 [EINECS]
3-HEXENYL 2-METHYLBUTYRATE, (3Z)-
53398-85-9 [RN]
UNII-N181NM2UXZ

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

Density: 0.9±0.1 g/cm3
Boiling Point: 231.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 83.3±0.0 °C
Index of Refraction: 1.441
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.07
ACD/KOC (pH 5.5): 1701.66
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.07
ACD/KOC (pH 7.4): 1701.66
Polar Surface Area: 26 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 207.6±3.0 cm3

Click to predict properties on the Chemicalize site


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