ChemSpider 2D Image | 2-{[(6-Hydroxy-2-propylheptyl)oxy]carbonyl}benzoic acid | C18H26O5

2-{[(6-Hydroxy-2-propylheptyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC18H26O5
  • Average mass322.396 Da
  • Monoisotopic mass322.178009 Da
  • ChemSpider ID48062696

More details:

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

1,2-Benzenedicarboxylic acid, mono(6-hydroxy-2-propylheptyl) ester [ACD/Index Name]
2-{[(6-Hydroxy-2-propylheptyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(6-Hydroxy-2-propylheptyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(6-hydroxy-2-propylheptyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]
1372605-11-2 [RN]
1412411-11-0 [RN]
4124-31-6 [RN]
56040-80-3 [RN]
6-Hydroxy Monopropylheptylphthalate (Mixture of Diastereomers)
Monopropylheptylphthalate 6-Hydroxy
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 485.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 169.2±18.1 °C
Index of Refraction: 1.527
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 5.07
ACD/KOC (pH 5.5): 28.28
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.80
Polar Surface Area: 84 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 286.7±3.0 cm3

Click to predict properties on the Chemicalize site


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