ChemSpider 2D Image | 3,3-Dimethylbutyl butyrate | C10H20O2

3,3-Dimethylbutyl butyrate

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID58811819

More details:

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

3,3-Dimethylbutyl butyrate [ACD/IUPAC Name]
3,3-Dimethylbutylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, 3,3-dimethylbutyl ester [ACD/Index Name]
Butyrate de 3,3-diméthylbutyle [French] [ACD/IUPAC Name]
85204-26-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 184.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 64.7±9.7 °C
Index of Refraction: 1.422
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): 3.49
ACD/BCF (pH 5.5): 262.93
ACD/KOC (pH 5.5): 1878.14
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 262.93
ACD/KOC (pH 7.4): 1878.14
Polar Surface Area: 26 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 197.1±3.0 cm3

Click to predict properties on the Chemicalize site


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