ChemSpider 2D Image | 2,5-Dichloro-4-(methoxycarbonyl)benzoic acid | C9H6Cl2O4

2,5-Dichloro-4-(methoxycarbonyl)benzoic acid

  • Molecular FormulaC9H6Cl2O4
  • Average mass249.048 Da
  • Monoisotopic mass247.964310 Da
  • ChemSpider ID60853910

More details:

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

1,4-Benzenedicarboxylic acid, 2,5-dichloro-, monomethyl ester [ACD/Index Name]
2,5-Dichlor-4-(methoxycarbonyl)benzoesäure [German] [ACD/IUPAC Name]
2,5-Dichloro-4-(methoxycarbonyl)benzoic acid [ACD/IUPAC Name]
Acide 2,5-dichloro-4-(méthoxycarbonyl)benzoïque [French] [ACD/IUPAC Name]
78079-32-0 [RN]
MFCD24849616

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

Density: 1.5±0.1 g/cm3
Boiling Point: 382.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 184.9±27.9 °C
Index of Refraction: 1.583
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 163.8±3.0 cm3

Click to predict properties on the Chemicalize site


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