ChemSpider 2D Image | 4-[(2-Hydroxyoctyl)oxy]-1,2,3-butanetriol | C12H26O5

4-[(2-Hydroxyoctyl)oxy]-1,2,3-butanetriol

  • Molecular FormulaC12H26O5
  • Average mass250.332 Da
  • Monoisotopic mass250.178024 Da
  • ChemSpider ID28590196

More details:

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

1,2,3-Butanetriol, 4-[(2-hydroxyoctyl)oxy]- [ACD/Index Name]
4-[(2-Hydroxyoctyl)oxy]-1,2,3-butanetriol [ACD/IUPAC Name]
4-[(2-Hydroxyoctyl)oxy]-1,2,3-butanetriol [French] [ACD/IUPAC Name]
4-[(2-Hydroxyoctyl)oxy]-1,2,3-butantriol [German] [ACD/IUPAC Name]
4-[(2-HYDROXYOCTYL)OXY]BUTANE-1,2,3-TRIOL
920761-22-4 [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: 441.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 221.1±28.7 °C
Index of Refraction: 1.495
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 78.93
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 78.93
Polar Surface Area: 90 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 224.1±3.0 cm3

Click to predict properties on the Chemicalize site


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