ChemSpider 2D Image | 4-Methylpentyl 3-methylbutyrate | C11H22O2

4-Methylpentyl 3-methylbutyrate

  • Molecular FormulaC11H22O2
  • Average mass186.291 Da
  • Monoisotopic mass186.161987 Da
  • ChemSpider ID32699185

More details:

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

1Y1&3OV1Y1&1 [WLN]
32652041 [Beilstein]
3-Méthylbutanoate de 4-méthylpentyle [French] [ACD/IUPAC Name]
4-Methylpentyl 3-methylbutanoate
4-Methylpentyl 3-methylbutyrate [ACD/IUPAC Name]
4-Methylpentyl-3-methylbutanoat [German] [ACD/IUPAC Name]
850309-45-4 [RN]
Butanoic acid, 3-methyl-, 4-methylpentyl ester [ACD/Index Name]
Isoamyl isovalerate
Isopentyl isovalerate

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

BAA4VZ0OYF [DBID]
UNII:BAA4VZ0OYF [DBID]
UNII-BAA4VZ0OYF [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: 203.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±3.0 kJ/mol
Flash Point: 78.9±5.4 °C
Index of Refraction: 1.424
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 436.03
ACD/KOC (pH 5.5): 2697.55
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 436.03
ACD/KOC (pH 7.4): 2697.55
Polar Surface Area: 26 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 27.2±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

Click to predict properties on the Chemicalize site


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