ChemSpider 2D Image | (~2~H_3_)Methyl (2S)-2-methylpentanoate | C7H11D3O2

(2H3)Methyl (2S)-2-methylpentanoate

  • Molecular FormulaC7H11D3O2
  • Average mass133.203 Da
  • Monoisotopic mass133.118210 Da
  • ChemSpider ID58783294

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (2S)-2-methylpentanoate [ACD/IUPAC Name]
(2H3)Methyl-(2S)-2-methylpentanoat [German] [ACD/IUPAC Name]
(2S)-2-Méthylpentanoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Pentanoic acid, 2-methyl-, methyl-d3 ester, (2S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 135.1±8.0 °C at 760 mmHg
Vapour Pressure: 7.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 37.3±3.0 kJ/mol
Flash Point: 33.4±8.3 °C
Index of Refraction: 1.404
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.08
ACD/KOC (pH 5.5): 297.92
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.08
ACD/KOC (pH 7.4): 297.92
Polar Surface Area: 26 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 25.6±3.0 dyne/cm
Molar Volume: 147.9±3.0 cm3

Click to predict properties on the Chemicalize site


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