ChemSpider 2D Image | 3-Butoxy-4-chlorobenzoic acid | C11H13ClO3

3-Butoxy-4-chlorobenzoic acid

  • Molecular FormulaC11H13ClO3
  • Average mass228.672 Da
  • Monoisotopic mass228.055328 Da
  • ChemSpider ID26557583

More details:






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

1280786-97-1 [RN]
3-Butoxy-4-chlorbenzoesäure [German] [ACD/IUPAC Name]
3-Butoxy-4-chlorobenzoic acid [ACD/IUPAC Name]
Acide 3-butoxy-4-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-butoxy-4-chloro- [ACD/Index Name]
[1280786-97-1]
3-Butoxy-4-chlorobenzoicacid
CA-5116
http://en.atomaxchem.com/1280786-97-1.html
MFCD18434437 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 359.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 171.2±22.3 °C
Index of Refraction: 1.538
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 7.56
ACD/KOC (pH 5.5): 49.75
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 47 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 187.4±3.0 cm3

Click to predict properties on the Chemicalize site






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