ChemSpider 2D Image | 2,2-Bis(hydroxymethyl)-1,1,3-propanetriol | C5H12O5

2,2-Bis(hydroxymethyl)-1,1,3-propanetriol

  • Molecular FormulaC5H12O5
  • Average mass152.146 Da
  • Monoisotopic mass152.068466 Da
  • ChemSpider ID61000759

More details:






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

1,1,3-Propanetriol, 2,2-bis(hydroxymethyl)- [ACD/Index Name]
2,2-Bis(hydroxymethyl)-1,1,3-propanetriol [ACD/IUPAC Name]
2,2-Bis(hydroxyméthyl)-1,1,3-propanetriol [French] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,1,3-propantriol [German] [ACD/IUPAC Name]
1823381-07-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 247.2±21.9 °C
Index of Refraction: 1.577
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 99.0±3.0 cm3

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