ChemSpider 2D Image | Isopropyl (2S)-2-methylbutanoate | C8H16O2

Isopropyl (2S)-2-methylbutanoate

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID34996280

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Méthylbutanoate d'isopropyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, 1-methylethyl ester, (2S)- [ACD/Index Name]
Isopropyl (2S)-2-methylbutanoate [ACD/IUPAC Name]
Isopropyl-(2S)-2-methylbutanoat [German] [ACD/IUPAC Name]
266-411-4 [EINECS]
66576-71-4 [RN]
72487-17-3 [RN]
Isopropyl 2-methylbutyrate [ACD/IUPAC Name]
Propan-2-yl (2S)-2-methylbutanoate
UNII-3429OS9G6T

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

Density: 0.9±0.1 g/cm3
Boiling Point: 144.4±8.0 °C at 760 mmHg
Vapour Pressure: 5.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.1±3.0 kJ/mol
Flash Point: 32.2±0.0 °C
Index of Refraction: 1.410
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.84
ACD/KOC (pH 5.5): 395.61
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.84
ACD/KOC (pH 7.4): 395.61
Polar Surface Area: 26 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 25.4±3.0 dyne/cm
Molar Volume: 164.8±3.0 cm3

Click to predict properties on the Chemicalize site


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