ChemSpider 2D Image | Butyl isobutyl terephthalate | C16H22O4

Butyl isobutyl terephthalate

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID29751732

More details:

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

1,4-Benzenedicarboxylic acid, butyl 2-methylpropyl ester [ACD/Index Name]
1020110-91-1 [RN]
1-Butyl 4-(2-methylpropyl) 1,4-benzenedicarboxylate
Butyl isobutyl terephthalate [ACD/IUPAC Name]
Butyl-isobutyl-terephthalat [German] [ACD/IUPAC Name]
Téréphtalate de butyle et d'isobutyle [French] [ACD/IUPAC Name]
Terephthalic acid, isobutyl butyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.5±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 168.1±8.5 °C
Index of Refraction: 1.498
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2901.52
ACD/KOC (pH 5.5): 10474.71
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2901.52
ACD/KOC (pH 7.4): 10474.71
Polar Surface Area: 53 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

Click to predict properties on the Chemicalize site


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