ChemSpider 2D Image | (2S)-2-Methylbutyl (2R)-2-methylbutanoate | C10H20O2

(2S)-2-Methylbutyl (2R)-2-methylbutanoate

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID34991308

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Méthylbutanoate de (2S)-2-méthylbutyle [French] [ACD/IUPAC Name]
(2S)-2-Methylbutyl (2R)-2-methylbutanoate [ACD/IUPAC Name]
(2S)-2-Methylbutyl-(2R)-2-methylbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (2S)-2-methylbutyl ester, (2R)- [ACD/Index Name]
219-497-2 [EINECS]
2445-78-5 [RN]
2-Methylbutyl 2-methylbutyrate
UNII-HYC739X7BP

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

Density: 0.9±0.1 g/cm3
Boiling Point: 185.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.1±3.0 kJ/mol
Flash Point: 67.2±0.0 °C
Index of Refraction: 1.420
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.42
ACD/KOC (pH 5.5): 1813.72
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.42
ACD/KOC (pH 7.4): 1813.72
Polar Surface Area: 26 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 26.6±3.0 dyne/cm
Molar Volume: 197.8±3.0 cm3

Click to predict properties on the Chemicalize site


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