ChemSpider 2D Image | 2,2-Bis(hydroxymethyl)-1,3-propanediyl dibutanoate | C13H24O6

2,2-Bis(hydroxymethyl)-1,3-propanediyl dibutanoate

  • Molecular FormulaC13H24O6
  • Average mass276.326 Da
  • Monoisotopic mass276.157288 Da
  • ChemSpider ID21166752

More details:

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

2,2-Bis(hydroxymethyl)-1,3-propandiyl-dibutanoat [German] [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)-1,3-propanediyl dibutanoate [ACD/IUPAC Name]
302-364-9 [EINECS]
94108-25-5 [RN]
Butanoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester [ACD/Index Name]
Dibutanoate de 2,2-bis(hydroxyméthyl)-1,3-propanediyle [French] [ACD/IUPAC Name]
2,2-bis(hydroxymethyl)propane-1,3-diyl dibutyrate
2-[(BUTANOYLOXY)METHYL]-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL BUTANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 337.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.3±6.0 kJ/mol
Flash Point: 113.2±20.0 °C
Index of Refraction: 1.474
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.04
ACD/KOC (pH 5.5): 110.81
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 110.81
Polar Surface Area: 93 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


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