ChemSpider 2D Image | 3-({2-Hydroxy-3-[(9Z,11Z)-9,11-octadecadienoyloxy]propoxy}carbonyl)benzoic acid | C29H42O7

3-({2-Hydroxy-3-[(9Z,11Z)-9,11-octadecadienoyloxy]propoxy}carbonyl)benzoic acid

  • Molecular FormulaC29H42O7
  • Average mass502.640 Da
  • Monoisotopic mass502.293060 Da
  • ChemSpider ID4941996

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenedicarboxylic acid, mono[2-hydroxy-3-[[(9Z,11Z)-1-oxo-9,11-octadecadien-1-yl]oxy]propyl] ester [ACD/Index Name]
3-({2-Hydroxy-3-[(9Z,11Z)-9,11-octadecadienoyloxy]propoxy}carbonyl)benzoesäure [German] [ACD/IUPAC Name]
3-({2-Hydroxy-3-[(9Z,11Z)-9,11-octadecadienoyloxy]propoxy}carbonyl)benzoic acid [ACD/IUPAC Name]
Acide 3-({2-hydroxy-3-[(9Z,11Z)-9,11-octadecadienoyloxy]propoxy}carbonyl)benzoïque [French] [ACD/IUPAC Name]
1,3-Benzenedicarboxylic acid, ester with 1,2,3-propanetriol (9Z,12Z)-9,12-octadecadienoate
3-({2-HYDROXY-3-[(9Z,11Z)-OCTADECA-9,11-DIENOYLOXY]PROPOXY}CARBONYL)BENZOIC ACID
68186-55-0 [RN]
Linoleic acid, isophthalic acid, glycerin 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: 667.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 211.0±21.9 °C
Index of Refraction: 1.527
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 15233.79
ACD/KOC (pH 5.5): 11397.75
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 710.79
ACD/KOC (pH 7.4): 531.81
Polar Surface Area: 110 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 458.6±3.0 cm3

Click to predict properties on the Chemicalize site


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