ChemSpider 2D Image | 1,1-Dimethoxy-3-methyl-1,3-butanediol | C7H16O4

1,1-Dimethoxy-3-methyl-1,3-butanediol

  • Molecular FormulaC7H16O4
  • Average mass164.199 Da
  • Monoisotopic mass164.104858 Da
  • ChemSpider ID28553993

More details:

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

1,1-Dimethoxy-3-methyl-1,3-butandiol [German] [ACD/IUPAC Name]
1,1-Dimethoxy-3-methyl-1,3-butanediol [ACD/IUPAC Name]
1,1-Diméthoxy-3-méthyl-1,3-butanediol [French] [ACD/IUPAC Name]
1,3-Butanediol, 1,1-dimethoxy-3-methyl- [ACD/Index Name]
1,1-Dimethoxy-3-methylbutane-1,3-diol
922165-68-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 212.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.1±6.0 kJ/mol
Flash Point: 82.0±25.9 °C
Index of Refraction: 1.452
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 65.47
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 65.46
Polar Surface Area: 59 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 151.9±3.0 cm3

Click to predict properties on the Chemicalize site


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