ChemSpider 2D Image | 2-Methyl-2-propanyl 2,2-dimethyl-7-{[(4-methylphenyl)sulfonyl]oxy}heptanoate | C20H32O5S

2-Methyl-2-propanyl 2,2-dimethyl-7-{[(4-methylphenyl)sulfonyl]oxy}heptanoate

  • Molecular FormulaC20H32O5S
  • Average mass384.530 Da
  • Monoisotopic mass384.197052 Da
  • ChemSpider ID50165704

More details:

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

2,2-Diméthyl-7-{[(4-méthylphényl)sulfonyl]oxy}heptanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2,2-dimethyl-7-{[(4-methylphenyl)sulfonyl]oxy}heptanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2,2-dimethyl-7-{[(4-methylphenyl)sulfonyl]oxy}heptanoat [German] [ACD/IUPAC Name]
Heptanoic acid, 2,2-dimethyl-7-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
1236354-13-4 [RN]
di-tert-butyl 2-methyl-2-(5-(tosyloxy)pentyl)malonate
MFCD19443209

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

Density: 1.1±0.1 g/cm3
Boiling Point: 472.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.2±24.0 °C
Index of Refraction: 1.497
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4888.07
ACD/KOC (pH 5.5): 15215.20
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4888.07
ACD/KOC (pH 7.4): 15215.20
Polar Surface Area: 78 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 355.5±3.0 cm3

Click to predict properties on the Chemicalize site


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