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ChemSpider 2D Image | 18-[(2-Methyl-2-propanyl)oxy]-18-oxooctadecanoic acid | C22H42O4

18-[(2-Methyl-2-propanyl)oxy]-18-oxooctadecanoic acid

  • Molecular FormulaC22H42O4
  • Average mass370.566 Da
  • Monoisotopic mass370.308319 Da
  • ChemSpider ID24958446

More details:

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

18-[(2-Methyl-2-propanyl)oxy]-18-oxooctadecanoic acid [ACD/IUPAC Name]
18-[(2-Methyl-2-propanyl)oxy]-18-oxooctadecansäure [German] [ACD/IUPAC Name]
Acide 18-[(2-méthyl-2-propanyl)oxy]-18-oxooctadécanoïque [French] [ACD/IUPAC Name]
Octadecanedioic acid, mono(1,1-dimethylethyl) ester [ACD/Index Name]
18-(tert-Butoxy)-18-oxooctadecanoic acid
18-(tert-Butoxy)-18-oxooctadecanoic acid; 18-(tert-Butoxy)-18-oxostearic acid; tert-Butyl 17-carboxyheptadecanoate
18-(tert-Butoxy)-18-oxostearic acid, tert-Butyl 17-carboxyheptadecanoate
18-(tert-Butoxy)-18-oxostearic acid; tert-Butyl 17-carboxyheptadecanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 470.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 147.3±14.7 °C
Index of Refraction: 1.463
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 27695.03
ACD/KOC (pH 5.5): 31273.97
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 444.30
ACD/KOC (pH 7.4): 501.71
Polar Surface Area: 64 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 389.8±3.0 cm3

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