ChemSpider 2D Image | Methyl 3-hydroxy(~2~H_4_)propanoate | C4H4D4O3

Methyl 3-hydroxy(2H4)propanoate

  • Molecular FormulaC4H4D4O3
  • Average mass108.129 Da
  • Monoisotopic mass108.072449 Da
  • ChemSpider ID107435896

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy(2H4)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-hydroxy(2H4)propanoate [ACD/IUPAC Name]
Methyl-3-hydroxy(2H4)propanoat [German] [ACD/IUPAC Name]
Propanoic-2,2,3,3-d4 acid, 3-hydroxy-, methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 180.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.7 mmHg at 25°C
Enthalpy of Vaporization: 48.5±6.0 kJ/mol
Flash Point: 72.6±12.6 °C
Index of Refraction: 1.414
Molar Refractivity: 23.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.40
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.40
Polar Surface Area: 47 Å2
Polarizability: 9.5±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 95.6±3.0 cm3

Click to predict properties on the Chemicalize site


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