ChemSpider 2D Image | 1,3-Propanediol | C3H4O3

1,3-Propanediol

  • Molecular FormulaC3H4O3
  • Average mass88.062 Da
  • Monoisotopic mass88.016045 Da
  • ChemSpider ID61714507

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Propanediol [ACD/Index Name] [ACD/IUPAC Name]
2,4-Dioxabicyclo[1.1.0]butane-1-methanol, cis- [ACD/Index Name]
cis-2,4-Dioxabicyclo[1.1.0]but-1-ylmethanol [German] [ACD/IUPAC Name]
cis-2,4-Dioxabicyclo[1.1.0]but-1-ylmethanol [ACD/IUPAC Name]
cis-2,4-Dioxabicyclo[1.1.0]but-1-ylméthanol [French] [ACD/IUPAC Name]
β-propylene glycol

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

Density: 1.9±0.1 g/cm3
Boiling Point: 138.7±15.0 °C at 760 mmHg
Vapour Pressure: 2.8±0.5 mmHg at 25°C
Enthalpy of Vaporization: 43.8±6.0 kJ/mol
Flash Point: 54.2±4.2 °C
Index of Refraction: 1.618
Molar Refractivity: 16.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.68
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 45 Å2
Polarizability: 6.6±0.5 10-24cm3
Surface Tension: 136.9±3.0 dyne/cm
Molar Volume: 47.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement