ChemSpider 2D Image | 2-Methyl-2-propanyl 1-{[(4-methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate | C30H52O13S

2-Methyl-2-propanyl 1-{[(4-methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate

  • Molecular FormulaC30H52O13S
  • Average mass652.791 Da
  • Monoisotopic mass652.312866 Da
  • ChemSpider ID58825741

More details:






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

1-{[(4-Méthylphényl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-{[(4-methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-{[(4-methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oat [German] [ACD/IUPAC Name]
3,6,9,12,15,18,21,24-Octaoxaheptacosan-27-oic acid, 1-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
1345337-28-1 [RN]
MFCD30458056
tert-butyl 1-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate
Tos-PEG8-CH2CH2COOtBu
Tos-PEG9-t-butyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.487
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.00
ACD/KOC (pH 5.5): 154.15
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 8.00
ACD/KOC (pH 7.4): 154.15
Polar Surface Area: 152 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 571.4±3.0 cm3

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