ChemSpider 2D Image | 2,2-Dimethyl Isobutyl Butyrate | C10H20O2

2,2-Dimethyl Isobutyl Butyrate

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID18963524

More details:

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

2,2-Dimethyl Isobutyl Butyrate
2,2-Diméthylbutanoate d'isobutyle [French] [ACD/IUPAC Name]
20225-31-4 [RN]
2-Methylpropyl 2,2-dimethylbutanoate
Butanoic acid, 2,2-dimethyl-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 2,2-dimethylbutanoate [ACD/IUPAC Name]
Isobutyl-2,2-dimethylbutanoat [German] [ACD/IUPAC Name]
MFCD09029499 [MDL number]

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 173.8±8.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 59.4±9.7 °C
Index of Refraction: 1.421
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.32
ACD/KOC (pH 5.5): 1573.45
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.32
ACD/KOC (pH 7.4): 1573.45
Polar Surface Area: 26 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 197.5±3.0 cm3

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