ChemSpider 2D Image | 4-{[(9Z)-9-Octadecen-1-yloxy]carbonyl}isophthalic acid | C27H40O6

4-{[(9Z)-9-Octadecen-1-yloxy]carbonyl}isophthalic acid

  • Molecular FormulaC27H40O6
  • Average mass460.603 Da
  • Monoisotopic mass460.282501 Da
  • ChemSpider ID52564304

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1-(octadec-9-enyl) dihydrogen benzene-1,2,4-tricarboxylate
1,2,4-Benzenetricarboxylic acid, 1-(9-octadecenyl) ester, (Z)-
1,2,4-Benzenetricarboxylic acid, 1-[(9Z)-9-octadecen-1-yl] ester [ACD/Index Name]
4-{[(9Z)-9-Octadecen-1-yloxy]carbonyl}isophthalic acid [ACD/IUPAC Name]
4-{[(9Z)-9-Octadecen-1-yloxy]carbonyl}isophthalsäure [German] [ACD/IUPAC Name]
85006-01-5 [RN]
Acide 4-{[(9Z)-9-octadécén-1-yloxy]carbonyl}isophtalique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 200.6±25.0 °C
Index of Refraction: 1.525
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 1706.94
ACD/KOC (pH 5.5): 605.92
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 722.09
ACD/KOC (pH 7.4): 256.33
Polar Surface Area: 101 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 426.6±3.0 cm3

Click to predict properties on the Chemicalize site


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