ChemSpider 2D Image | 3-(5-Chloro-2,3,4-trimethoxyphenyl)hexanoic acid | C15H21ClO5

3-(5-Chloro-2,3,4-trimethoxyphenyl)hexanoic acid

  • Molecular FormulaC15H21ClO5
  • Average mass316.777 Da
  • Monoisotopic mass316.107758 Da
  • ChemSpider ID44902133

More details:

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

3-(5-Chlor-2,3,4-trimethoxyphenyl)hexansäure [German] [ACD/IUPAC Name]
3-(5-Chloro-2,3,4-trimethoxyphenyl)hexanoic acid [ACD/IUPAC Name]
Acide 3-(5-chloro-2,3,4-triméthoxyphényl)hexanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 5-chloro-2,3,4-trimethoxy-β-propyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.5±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 35.73
ACD/KOC (pH 5.5): 258.15
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.10
Polar Surface Area: 65 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 267.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement