ChemSpider 2D Image | [(4E)-4-(Methoxycarbonyl)-5-(4-methoxyphenyl)-4-penten-1-yl]phosphonic acid | C14H19O6P

[(4E)-4-(Methoxycarbonyl)-5-(4-methoxyphenyl)-4-penten-1-yl]phosphonic acid

  • Molecular FormulaC14H19O6P
  • Average mass314.271 Da
  • Monoisotopic mass314.091919 Da
  • ChemSpider ID90653682

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4E)-4-(Methoxycarbonyl)-5-(4-methoxyphenyl)-4-penten-1-yl]phosphonic acid [ACD/IUPAC Name]
[(4E)-4-(Methoxycarbonyl)-5-(4-methoxyphenyl)-4-penten-1-yl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(4E)-4-(méthoxycarbonyl)-5-(4-méthoxyphényl)-4-pentén-1-yl]phosphonique [French] [ACD/IUPAC Name]
Pentanoic acid, 2-[(4-methoxyphenyl)methylene]-5-phosphono-, 1-methyl ester, (2E)- [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: 535.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.6±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 242.9±3.0 cm3

Click to predict properties on the Chemicalize site


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