ChemSpider 2D Image | 8-[4-(Heptyloxy)phenyl]-8-oxooctanoic acid | C21H32O4

8-[4-(Heptyloxy)phenyl]-8-oxooctanoic acid

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID21401832

More details:

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

8-[4-(Heptyloxy)phenyl]-8-oxooctanoic acid [ACD/IUPAC Name]
8-[4-(Heptyloxy)phenyl]-8-oxooctansäure [German] [ACD/IUPAC Name]
898792-25-1 [RN]
Acide 8-[4-(heptyloxy)phényl]-8-oxooctanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 4-(heptyloxy)-η-oxo- [ACD/Index Name]
8-(4-heptoxyphenyl)-8-oxooctanoic acid
8-(4-heptyloxyphenyl )-8-oxooctanoic acid
8-(4-heptyloxyphenyl)-8-oxooctanoic acid
MFCD02261011 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 517.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 174.7±18.1 °C
Index of Refraction: 1.505
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 3486.83
ACD/KOC (pH 5.5): 7035.78
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 55.77
ACD/KOC (pH 7.4): 112.53
Polar Surface Area: 64 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 337.7±3.0 cm3

Click to predict properties on the Chemicalize site


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