ChemSpider 2D Image | 2-Methylhexyl 4-methylbenzenesulfonate | C14H22O3S

2-Methylhexyl 4-methylbenzenesulfonate

  • Molecular FormulaC14H22O3S
  • Average mass270.388 Da
  • Monoisotopic mass270.128967 Da
  • ChemSpider ID61060527

More details:

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

1-Hexanol, 2-methyl-, 4-methylbenzenesulfonate [ACD/Index Name]
2-Methylhexyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
2-Methylhexyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 2-méthylhexyle [French] [ACD/IUPAC Name]
1188414-55-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 373.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 179.4±19.3 °C
Index of Refraction: 1.499
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.67
ACD/KOC (pH 5.5): 2213.04
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 330.67
ACD/KOC (pH 7.4): 2213.04
Polar Surface Area: 52 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 253.3±3.0 cm3

Click to predict properties on the Chemicalize site


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