ChemSpider 2D Image | (2E)-3-(4-{[4-(Hexadecyloxy)phenoxy]carbonyl}phenyl)acrylic acid | C32H44O5

(2E)-3-(4-{[4-(Hexadecyloxy)phenoxy]carbonyl}phenyl)acrylic acid

  • Molecular FormulaC32H44O5
  • Average mass508.689 Da
  • Monoisotopic mass508.318878 Da
  • ChemSpider ID24764254

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-{[4-(Hexadecyloxy)phenoxy]carbonyl}phenyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(4-{[4-(Hexadecyloxy)phenoxy]carbonyl}phenyl)acrylsäure [German] [ACD/IUPAC Name]
Acide (2E)-3-(4-{[4-(hexadécyloxy)phénoxy]carbonyl}phényl)acrylique [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-2-carboxyethenyl]-, 1-[4-(hexadecyloxy)phenyl] ester [ACD/Index Name]
(2E)-3-{4-[(4-hexadecyloxyphenyl)oxycarbonyl]phenyl}prop-2-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 645.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 199.9±22.2 °C
Index of Refraction: 1.544
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 11.87
ACD/LogD (pH 5.5): 9.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 723250.44
ACD/LogD (pH 7.4): 7.56
ACD/BCF (pH 7.4): 59352.62
ACD/KOC (pH 7.4): 12121.38
Polar Surface Area: 73 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 480.1±3.0 cm3

Click to predict properties on the Chemicalize site


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