ChemSpider 2D Image | 3-Methyl-5-oxohexanal | C7H12O2

3-Methyl-5-oxohexanal

  • Molecular FormulaC7H12O2
  • Average mass128.169 Da
  • Monoisotopic mass128.083725 Da
  • ChemSpider ID11619745

More details:

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

3-Methyl-5-oxohexanal [ACD/IUPAC Name]
3-Methyl-5-oxohexanal [German] [ACD/IUPAC Name]
3-Méthyl-5-oxohexanal [French] [ACD/IUPAC Name]
Hexanal, 3-methyl-5-oxo- [ACD/Index Name]
146430-52-6 [RN]
3-METHYL-5-KETOHEXANAL
Hexanal, 3-methyl-5-oxo- (9CI)
MFCD24501043

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

Density: 0.9±0.1 g/cm3
Boiling Point: 204.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 72.7±19.6 °C
Index of Refraction: 1.413
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 50.10
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 50.10
Polar Surface Area: 34 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 138.9±3.0 cm3

Click to predict properties on the Chemicalize site


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