ChemSpider 2D Image | 3-(3-Chloro-4-methoxyphenyl)-3-cyclohexylpropanoic acid | C16H21ClO3

3-(3-Chloro-4-methoxyphenyl)-3-cyclohexylpropanoic acid

  • Molecular FormulaC16H21ClO3
  • Average mass296.789 Da
  • Monoisotopic mass296.117920 Da
  • ChemSpider ID25520693

More details:

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

3-(3-Chlor-4-methoxyphenyl)-3-cyclohexylpropansäure [German] [ACD/IUPAC Name]
3-(3-Chloro-4-methoxyphenyl)-3-cyclohexylpropanoic acid [ACD/IUPAC Name]
Acide 3-(3-chloro-4-méthoxyphényl)-3-cyclohexylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-chloro-β-cyclohexyl-4-methoxy- [ACD/Index Name]
1216261-68-5 [RN]
EMOLECULES 37174361
MFCD14526035
NS-04996

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.6±25.9 °C
Index of Refraction: 1.549
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 208.97
ACD/KOC (pH 5.5): 873.03
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 13.74
Polar Surface Area: 47 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 249.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement