ChemSpider 2D Image | 6-[4-(Heptyloxy)phenyl]-6-oxohexanoic acid | C19H28O4

6-[4-(Heptyloxy)phenyl]-6-oxohexanoic acid

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID21401830

More details:






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

6-[4-(Heptyloxy)phenyl]-6-oxohexanoic acid [ACD/IUPAC Name]
6-[4-(Heptyloxy)phenyl]-6-oxohexansäure [German] [ACD/IUPAC Name]
898792-21-7 [RN]
Acide 6-[4-(heptyloxy)phényl]-6-oxohexanoïque [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 4-(heptyloxy)-ε-oxo- [ACD/Index Name]
6-(4-heptoxyphenyl)-6-oxohexanoic acid
6-(4-heptyloxyphenyl)-6-oxohexanoic acid
MFCD02261009 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 496.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 171.9±16.7 °C
Index of Refraction: 1.508
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 444.89
ACD/KOC (pH 5.5): 1538.04
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 7.03
ACD/KOC (pH 7.4): 24.30
Polar Surface Area: 64 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 304.7±3.0 cm3

Click to predict properties on the Chemicalize site






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