ChemSpider 2D Image | 3-Chloro(~2~H_4_)benzoic acid | C7HD4ClO2

3-Chloro(2H4)benzoic acid

  • Molecular FormulaC7HD4ClO2
  • Average mass160.591 Da
  • Monoisotopic mass160.022919 Da
  • ChemSpider ID30773481

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Chlor(2H4)benzoesäure [German] [ACD/IUPAC Name]
3-Chloro(2H4)benzoic acid [ACD/IUPAC Name]
Acide 3-chloro(2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,4,6-d4 acid, 5-chloro- [ACD/Index Name]
2098655-72-0 [RN]
3-Chlorobenzoic-d4 Acid
n-Chlorobenzoic Acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 281.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 123.9±19.8 °C
Index of Refraction: 1.583
Molar Refractivity: 38.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 12.78
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 113.9±3.0 cm3

Click to predict properties on the Chemicalize site


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