ChemSpider 2D Image | 12-[(2-Methyl-2-propanyl)oxy]-12-oxododecanoic acid | C16H30O4

12-[(2-Methyl-2-propanyl)oxy]-12-oxododecanoic acid

  • Molecular FormulaC16H30O4
  • Average mass286.407 Da
  • Monoisotopic mass286.214417 Da
  • ChemSpider ID31023647

More details:






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

12-[(2-Methyl-2-propanyl)oxy]-12-oxododecanoic acid [ACD/IUPAC Name]
12-[(2-Methyl-2-propanyl)oxy]-12-oxododecansäure [German] [ACD/IUPAC Name]
Acide 12-[(2-méthyl-2-propanyl)oxy]-12-oxododécanoïque [French] [ACD/IUPAC Name]
Dodecanedioic acid, mono(1,1-dimethylethyl) ester [ACD/Index Name]
12-(t-Butoxy)-12-oxododecanoic acid
12-(tert-butoxy)-12-oxododecanoic acid
234081-98-2 [RN]
MFCD28098251 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 389.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 129.6±13.9 °C
Index of Refraction: 1.459
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 207.45
ACD/KOC (pH 5.5): 941.25
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 15.10
Polar Surface Area: 64 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 290.8±3.0 cm3

Click to predict properties on the Chemicalize site






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