ChemSpider 2D Image | 2-(Butoxycarbonyl)benzoate | C12H13O4

2-(Butoxycarbonyl)benzoate

  • Molecular FormulaC12H13O4
  • Average mass221.230 Da
  • Monoisotopic mass221.081924 Da
  • ChemSpider ID11193756

  • Charge - Charge

More details:

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

1,2-Benzenedicarboxylic acid, monobutyl ester, ion(1-) [ACD/Index Name]
2-(Butoxycarbonyl)benzoat [German] [ACD/IUPAC Name]
2-(Butoxycarbonyl)benzoate [ACD/IUPAC Name]
2-(Butoxycarbonyl)benzoate [French] [ACD/IUPAC Name]
Butyl hydrogen phthalate
monobutyl ester
Monobutyl phthalate
Mono-n-butyl phthalate
Phthalic acid [ACD/IUPAC Name] [Wiki]
Phthalic Acid Monobutyl Ester

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

Density:
Boiling Point: 363.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 138.2±16.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.98
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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