ChemSpider 2D Image | 1,3-Propanediol | C3H6O4

1,3-Propanediol

  • Molecular FormulaC3H6O4
  • Average mass106.077 Da
  • Monoisotopic mass106.026611 Da
  • ChemSpider ID61709936

More details:






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

1,3-Propanediol [ACD/IUPAC Name] [ACD/Index Name]
3,3-Dioxirandiyldimethanol [German] [ACD/IUPAC Name]
3,3-Dioxiranedimethanol [ACD/Index Name]
3,3-Dioxiranediyldimethanol [ACD/IUPAC Name]
3,3-Dioxiranediyldiméthanol [French] [ACD/IUPAC Name]
β-propylene glycol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 167.2±36.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.0±6.0 kJ/mol
Flash Point: 54.9±26.2 °C
Index of Refraction: 1.481
Molar Refractivity: 20.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.53
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.53
Polar Surface Area: 66 Å2
Polarizability: 8.0±0.5 10-24cm3
Surface Tension: 85.8±3.0 dyne/cm
Molar Volume: 70.9±3.0 cm3

Click to predict properties on the Chemicalize site






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