ChemSpider 2D Image | 2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}benzoic acid | C17H24O5

2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC17H24O5
  • Average mass308.370 Da
  • Monoisotopic mass308.162384 Da
  • ChemSpider ID48059182

More details:

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

1,2-Benzenedicarboxylic acid, mono(7-hydroxy-4-methyloctyl) ester [ACD/Index Name]
2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(7-Hydroxy-4-methyloctyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(7-hydroxy-4-méthyloctyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]
1,2-benzenedicarboxylic acid 1-(7-hydroxy-4-methyloctyl) ester
1,2-Benzenedicarboxylic Acid 1-(7-Hydroxy-4-methyloctyl) Ester(Mixture of Diastereomers)
1,2-Benzenedicarboxylic Acid 1-(7-Hydroxy-4-methyloctyl) Ester-d4
1332965-98-6 [RN]
2-(((7-hydroxy-4-methyloctyl)oxy)carbonyl)benzoic acid
2-(7-hydroxy-4-methyloctoxy)carbonylbenzoic acid
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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: 474.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 167.8±18.1 °C
Index of Refraction: 1.530
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 20.07
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 84 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 270.2±3.0 cm3

Click to predict properties on the Chemicalize site


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