ChemSpider 2D Image | 1,4,7,10,13,16,19,22,25-Nonaoxacycloheptacosan-2-ylmethyl 4-methylbenzenesulfonate | C26H44O12S

1,4,7,10,13,16,19,22,25-Nonaoxacycloheptacosan-2-ylmethyl 4-methylbenzenesulfonate

  • Molecular FormulaC26H44O12S
  • Average mass580.685 Da
  • Monoisotopic mass580.255371 Da
  • ChemSpider ID10537721

More details:

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

1,4,7,10,13,16,19,22,25-Nonaoxacycloheptacosan-2-ylmethyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
1,4,7,10,13,16,19,22,25-Nonaoxacycloheptacosane-2-methanol, 4-methylbenzenesulfonate [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: 720.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 389.2±31.5 °C
Index of Refraction: 1.456
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 71.44
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.44
Polar Surface Area: 135 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 528.2±3.0 cm3

Click to predict properties on the Chemicalize site


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