ChemSpider 2D Image | 2-[1-(5-Chloro-2,3,4-trimethoxyphenyl)-2-propanyl]cyclopropanecarboxylic acid | C16H21ClO5

2-[1-(5-Chloro-2,3,4-trimethoxyphenyl)-2-propanyl]cyclopropanecarboxylic acid

  • Molecular FormulaC16H21ClO5
  • Average mass328.788 Da
  • Monoisotopic mass328.107758 Da
  • ChemSpider ID44863090

More details:

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

2-[1-(5-Chlor-2,3,4-trimethoxyphenyl)-2-propanyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
2-[1-(5-Chloro-2,3,4-trimethoxyphenyl)-2-propanyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 2-[1-(5-chloro-2,3,4-triméthoxyphényl)-2-propanyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[2-(5-chloro-2,3,4-trimethoxyphenyl)-1-methylethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 445.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 222.9±27.3 °C
Index of Refraction: 1.547
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 27.15
ACD/KOC (pH 5.5): 217.28
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 65 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 262.3±3.0 cm3

Click to predict properties on the Chemicalize site


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