ChemSpider 2D Image | (2S)-2-Methylbutyl decanoate | C15H30O2

(2S)-2-Methylbutyl decanoate

  • Molecular FormulaC15H30O2
  • Average mass242.398 Da
  • Monoisotopic mass242.224579 Da
  • ChemSpider ID23351383
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Methylbutyl decanoate [ACD/IUPAC Name]
(2S)-2-Methylbutyl-decanoat [German] [ACD/IUPAC Name]
55195-23-8 [RN]
Décanoate de (2S)-2-méthylbutyle [French] [ACD/IUPAC Name]
Decanoic acid, (2S)-2-methylbutyl ester [ACD/Index Name]
Decanoic acid, 2-methylbutyl ester, (S)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 281.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 125.0±8.3 °C
Index of Refraction: 1.436
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22954.81
ACD/KOC (pH 5.5): 46036.13
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22954.81
ACD/KOC (pH 7.4): 46036.13
Polar Surface Area: 26 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

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