ChemSpider 2D Image | (2S)-ethyl 2-hydroxy-4-methylvalerate | C8H16O3

(2S)-ethyl 2-hydroxy-4-methylvalerate

  • Molecular FormulaC8H16O3
  • Average mass160.211 Da
  • Monoisotopic mass160.109940 Da
  • ChemSpider ID18938214
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Hydroxy-4-méthylpentanoate d'éthyle [French] [ACD/IUPAC Name]
(2S)-ethyl 2-hydroxy-4-methylvalerate
60856-85-1 [RN]
Ethyl (2S)-2-hydroxy-4-methylpentanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-hydroxy-4-methylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester, (2S)- [ACD/Index Name]
(2S)-2-Hydroxy-4-methylpentanoic Acid Ethyl Ester
(S)-(-)-Ethyl leucate
ETHYL 2-HYDROXY-4-METHYLVALERATE, (2S)-
ethyl 2S-2-hydroxy-4-methyl-pentanoate

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

LZU52L66UC [DBID]
UNII:LZU52L66UC [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 197.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.5±6.0 kJ/mol
Flash Point: 74.0±6.9 °C
Index of Refraction: 1.435
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.60
ACD/KOC (pH 5.5): 134.36
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.60
ACD/KOC (pH 7.4): 134.36
Polar Surface Area: 47 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 162.3±3.0 cm3

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