ChemSpider 2D Image | 2-Methyl-2-propanyl 2-oxo-6,9,12,15,18,21,24-heptaoxa-3-thiaheptacosan-27-oate | C23H44O10S

2-Methyl-2-propanyl 2-oxo-6,9,12,15,18,21,24-heptaoxa-3-thiaheptacosan-27-oate

  • Molecular FormulaC23H44O10S
  • Average mass512.654 Da
  • Monoisotopic mass512.265503 Da
  • ChemSpider ID123960741

More details:






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

2-Methyl-2-propanyl 2-oxo-6,9,12,15,18,21,24-heptaoxa-3-thiaheptacosan-27-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-oxo-6,9,12,15,18,21,24-heptaoxa-3-thiaheptacosan-27-oat [German] [ACD/IUPAC Name]
2-Oxo-6,9,12,15,18,21,24-heptaoxa-3-thiaheptacosan-27-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6,9,12,15,18,21,24-Heptaoxa-3-thiaheptacosan-27-oic acid, 2-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 258.2±18.1 °C
Index of Refraction: 1.471
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 77.83
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.83
Polar Surface Area: 133 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 467.3±3.0 cm3

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