ChemSpider 2D Image | 1-{3-Methyl-3-[(2-methyl-2-butanyl)peroxy]-1-butyn-1-yl}cyclohexyl acetate | C18H30O4

1-{3-Methyl-3-[(2-methyl-2-butanyl)peroxy]-1-butyn-1-yl}cyclohexyl acetate

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID21673655

More details:

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

1-{3-Methyl-3-[(2-methyl-2-butanyl)peroxy]-1-butin-1-yl}cyclohexyl-acetat [German] [ACD/IUPAC Name]
1-{3-Methyl-3-[(2-methyl-2-butanyl)peroxy]-1-butyn-1-yl}cyclohexyl acetate [ACD/IUPAC Name]
Acétate de 1-{3-méthyl-3-[(2-méthyl-2-butanyl)peroxy]-1-butyn-1-yl}cyclohexyle [French] [ACD/IUPAC Name]
Cyclohexanol, 1-[3-[(1,1-dimethylpropyl)dioxy]-3-methyl-1-butyn-1-yl]-, acetate [ACD/Index Name]
[1-[3-methyl-3-(2-methylbutan-2-ylperoxy)but-1-ynyl]cyclohexyl] acetate
1-(3-methyl-3-(tert-pentylperoxy)but-1-yn-1-yl)cyclohexyl acetate
1-{3-methyl-3-[(2-methylbutan-2-yl)peroxy]but-1-yn-1-yl}cyclohexyl acetate
158722-09-9 [RN]
Acetic acid 1-[3-(1,1-dimethyl-propylperoxy)-3-methyl-but-1-ynyl]-cyclohexyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 361.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 152.2±26.0 °C
Index of Refraction: 1.478
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4137.08
ACD/KOC (pH 5.5): 13502.79
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4137.08
ACD/KOC (pH 7.4): 13502.79
Polar Surface Area: 45 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 36.8±5.0 dyne/cm
Molar Volume: 306.1±5.0 cm3

Click to predict properties on the Chemicalize site


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