ChemSpider 2D Image | Isobutyl (2R)-2-methylbutanoate | C9H18O2

Isobutyl (2R)-2-methylbutanoate

  • Molecular FormulaC9H18O2
  • Average mass158.238 Da
  • Monoisotopic mass158.130676 Da
  • ChemSpider ID58827833

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Méthylbutanoate d'isobutyle [French] [ACD/IUPAC Name]
151409-48-2 [RN]
Butanoic acid, 2-methyl-, 2-methylpropyl ester, (2R)- [ACD/Index Name]
Isobutyl (2R)-2-methylbutanoate [ACD/IUPAC Name]
Isobutyl-(2R)-2-methylbutanoat [German] [ACD/IUPAC Name]
ISOBUTYL 2-METHYLBUTYRATE, (R)-

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

VLV27TMF9N [DBID]
UNII:VLV27TMF9N [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 165.2±8.0 °C at 760 mmHg
Vapour Pressure: 1.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.2±3.0 kJ/mol
Flash Point: 50.5±5.4 °C
Index of Refraction: 1.415
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.84
ACD/KOC (pH 5.5): 704.63
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.84
ACD/KOC (pH 7.4): 704.63
Polar Surface Area: 26 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 26.1±3.0 dyne/cm
Molar Volume: 181.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement