ChemSpider 2D Image | Bis[2,2-bis(hydroxymethyl)butyl] terephthalate | C20H30O8

Bis[2,2-bis(hydroxymethyl)butyl] terephthalate

  • Molecular FormulaC20H30O8
  • Average mass398.447 Da
  • Monoisotopic mass398.194061 Da
  • ChemSpider ID57505257

More details:

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

1,4-Benzenedicarboxylic acid, bis[2,2-bis(hydroxymethyl)butyl] ester [ACD/Index Name]
Bis[2,2-bis(hydroxymethyl)butyl] terephthalate [ACD/IUPAC Name]
Bis[2,2-bis(hydroxymethyl)butyl]-terephthalat [German] [ACD/IUPAC Name]
Téréphtalate de bis[2,2-bis(hydroxyméthyl)butyle] [French] [ACD/IUPAC Name]
83156-41-6 [RN]
Bis[2,2-bis(hydroxymethyl)butyl] benzene-1,4-dicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 203.8±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.43
ACD/KOC (pH 5.5): 199.09
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.43
ACD/KOC (pH 7.4): 199.09
Polar Surface Area: 134 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

Click to predict properties on the Chemicalize site


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