ChemSpider 2D Image | 4-Methyl-2,2-bis[(~2~H_3_)methyl]-1,3-pentanediol | C8H12D6O2

4-Methyl-2,2-bis[(2H3)methyl]-1,3-pentanediol

  • Molecular FormulaC8H12D6O2
  • Average mass152.264 Da
  • Monoisotopic mass152.168335 Da
  • ChemSpider ID58784567

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Pentanediol, 4-methyl-2,2-di(methyl-d3)- [ACD/Index Name]
4-Methyl-2,2-bis[(2H3)methyl]-1,3-pentandiol [German] [ACD/IUPAC Name]
4-Methyl-2,2-bis[(2H3)methyl]-1,3-pentanediol [ACD/IUPAC Name]
4-Méthyl-2,2-bis[(2H3)méthyl]-1,3-pentanediol [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 232.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.5±6.0 kJ/mol
Flash Point: 92.7±13.0 °C
Index of Refraction: 1.450
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.16
ACD/KOC (pH 5.5): 127.93
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.16
ACD/KOC (pH 7.4): 127.93
Polar Surface Area: 40 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 156.4±3.0 cm3

Click to predict properties on the Chemicalize site


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