ChemSpider 2D Image | (3E)-4-(5-Chloro-2,3,4-trimethoxyphenyl)-3-heptenoic acid | C16H21ClO5

(3E)-4-(5-Chloro-2,3,4-trimethoxyphenyl)-3-heptenoic acid

  • Molecular FormulaC16H21ClO5
  • Average mass328.788 Da
  • Monoisotopic mass328.107758 Da
  • ChemSpider ID44902135

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-(5-Chlor-2,3,4-trimethoxyphenyl)-3-heptensäure [German] [ACD/IUPAC Name]
(3E)-4-(5-Chloro-2,3,4-trimethoxyphenyl)-3-heptenoic acid [ACD/IUPAC Name]
3-Heptenoic acid, 4-(5-chloro-2,3,4-trimethoxyphenyl)-, (3E)- [ACD/Index Name]
Acide (3E)-4-(5-chloro-2,3,4-triméthoxyphényl)-3-hepténoïque [French] [ACD/IUPAC 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: 472.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.5±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 14.64
ACD/KOC (pH 5.5): 91.60
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 65 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 278.4±3.0 cm3

Click to predict properties on the Chemicalize site


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