ChemSpider 2D Image | 3-({(2E)-3-[4-(Dodecyloxy)phenyl]-2-methyl-2-propenoyl}oxy)-1,2-propanediyl dibenzoate | C39H48O7

3-({(2E)-3-[4-(Dodecyloxy)phenyl]-2-methyl-2-propenoyl}oxy)-1,2-propanediyl dibenzoate

  • Molecular FormulaC39H48O7
  • Average mass628.794 Da
  • Monoisotopic mass628.340027 Da
  • ChemSpider ID23226207

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propenoic acid, 3-[4-(dodecyloxy)phenyl]-2-methyl-, 2,3-bis(benzoyloxy)propyl ester, (2E)- [ACD/Index Name]
3-({(2E)-3-[4-(Dodecyloxy)phenyl]-2-methyl-2-propenoyl}oxy)-1,2-propandiyl-dibenzoat [German] [ACD/IUPAC Name]
3-({(2E)-3-[4-(Dodecyloxy)phenyl]-2-methyl-2-propenoyl}oxy)-1,2-propanediyl dibenzoate [ACD/IUPAC Name]
3-({(2E)-3-[4-(dodecyloxy)phenyl]-2-methylprop-2-enoyl}oxy)propane-1,2-diyl dibenzoate
Dibenzoate de 3-({(2E)-3-[4-(dodécyloxy)phényl]-2-méthyl-2-propenoyl}oxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
Benzoic acid 2-[3-(4-dodecyloxy-phenyl)-2-methyl-acryloyloxy]-1-phenoxycarbonylmethyl-ethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 707.7±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 286.6±27.1 °C
Index of Refraction: 1.553
Molar Refractivity: 182.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 13.44
ACD/LogD (pH 5.5): 12.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 88 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 570.2±3.0 cm3

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