ChemSpider 2D Image | 2,2-Bis(hydroxymethyl)butyl methyl adipate | C13H24O6

2,2-Bis(hydroxymethyl)butyl methyl adipate

  • Molecular FormulaC13H24O6
  • Average mass276.326 Da
  • Monoisotopic mass276.157288 Da
  • ChemSpider ID28677770

More details:






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

2,2-Bis(hydroxymethyl)butyl methyl adipate [ACD/IUPAC Name]
2,2-Bis(hydroxymethyl)butyl-methyladipat [German] [ACD/IUPAC Name]
Adipate de 2,2-bis(hydroxyméthyl)butyle et de méthyle [French] [ACD/IUPAC Name]
Hexanedioic acid, 2,2-bis(hydroxymethyl)butyl methyl ester [ACD/Index Name]
1-[2-ETHYL-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL] 6-METHYL HEXANEDIOATE
117585-72-5 [RN]
2,2-Bis(hydroxymethyl)butyl methyl hexanedioate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 360.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 123.7±17.2 °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: 1.00
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 74.17
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.88
ACD/KOC (pH 7.4): 74.17
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

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