ChemSpider 2D Image | 3-(Hydroxymethyl)-3-methyl-2-oxopentanoic acid | C7H12O4

3-(Hydroxymethyl)-3-methyl-2-oxopentanoic acid

  • Molecular FormulaC7H12O4
  • Average mass160.168 Da
  • Monoisotopic mass160.073563 Da
  • ChemSpider ID60652004

More details:

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

3-(Hydroxymethyl)-3-methyl-2-oxopentanoic acid [ACD/IUPAC Name]
3-(Hydroxymethyl)-3-methyl-2-oxopentansäure [German] [ACD/IUPAC Name]
Acide 3-(hydroxyméthyl)-3-méthyl-2-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-(hydroxymethyl)-3-methyl-2-oxo- [ACD/Index Name]
1824392-45-1 [RN]
MFCD24516329

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

Density: 1.2±0.1 g/cm3
Boiling Point: 273.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.4±6.0 kJ/mol
Flash Point: 133.5±19.1 °C
Index of Refraction: 1.475
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 133.4±3.0 cm3

Click to predict properties on the Chemicalize site


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