ChemSpider 2D Image | 4-(Diethylamino)-η-oxobenzeneoctanoic acid | C18H27NO3

4-(Diethylamino)-η-oxobenzeneoctanoic acid

  • Molecular FormulaC18H27NO3
  • Average mass305.412 Da
  • Monoisotopic mass305.199097 Da
  • ChemSpider ID21401870

More details:






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

4-(Diethylamino)-η-oxobenzeneoctanoic acid
8-[4-(Diethylamino)phenyl]-8-oxooctanoic acid [ACD/IUPAC Name]
8-[4-(Diethylamino)phenyl]-8-oxooctansäure [German] [ACD/IUPAC Name]
951889-35-3 [RN]
Acide 8-[4-(diéthylamino)phényl]-8-oxooctanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 4-(diethylamino)-η-oxo- [ACD/Index Name]
8-(4-(Diethylamino)phenyl)-8-oxooctanoic acid
8-[4-(N,N-DIETHYLAMINO)PHENYL]-8-OXOOCTANOIC ACID
MFCD09801737 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 494.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.7±24.6 °C
Index of Refraction: 1.537
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 69.34
ACD/KOC (pH 5.5): 423.82
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 6.94
Polar Surface Area: 58 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 285.6±3.0 cm3

Click to predict properties on the Chemicalize site






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