ChemSpider 2D Image | 1,3-Propanediol | C3H8O4

1,3-Propanediol

  • Molecular FormulaC3H8O4
  • Average mass108.093 Da
  • Monoisotopic mass108.042259 Da
  • ChemSpider ID61387655

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1,2,3-Propanetetrol [ACD/IUPAC Name]
(2S)-1,1,2,3-Propanetétrol [French] [ACD/IUPAC Name]
(2S)-1,1,2,3-Propantetrol [German] [ACD/IUPAC Name]
1,1,2,3-Propanetetrol, (2S)- [ACD/Index Name]
1,3-Propanediol [ACD/Index Name] [ACD/IUPAC Name]
474661-88-6 [RN]
β-propylene glycol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 413.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±6.0 kJ/mol
Flash Point: 225.6±21.9 °C
Index of Refraction: 1.552
Molar Refractivity: 22.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.83
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 8.7±0.5 10-24cm3
Surface Tension: 92.0±3.0 dyne/cm
Molar Volume: 68.8±3.0 cm3

Click to predict properties on the Chemicalize site


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