ChemSpider 2D Image | bis(2-methylpropanoyl) 2-hydroxybutanedioate | C12H18O7

bis(2-methylpropanoyl) 2-hydroxybutanedioate

  • Molecular FormulaC12H18O7
  • Average mass274.267 Da
  • Monoisotopic mass274.105255 Da
  • ChemSpider ID57373328

More details:

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

1,4-bis(2-methylpropanoyl) 2-hydroxybutanedioate
65416-14-0 [RN]
Maltol Isobutyrate
maltyl isobutyrate
MFCD00036606

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

Density: 1.2±0.1 g/cm3
Boiling Point: 360.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.2±6.0 kJ/mol
Flash Point: 128.1±20.0 °C
Index of Refraction: 1.466
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 50.13
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 50.13
Polar Surface Area: 107 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 226.5±3.0 cm3

Click to predict properties on the Chemicalize site


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