ChemSpider 2D Image | (3Z)-3-Hexyl-3-decen-1-yl 4-methylbenzenesulfonate | C23H38O3S

(3Z)-3-Hexyl-3-decen-1-yl 4-methylbenzenesulfonate

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID57452784
  • Double-bond stereo - Double-bond stereo


More details:






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

(3Z)-3-Hexyl-3-decen-1-yl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(3Z)-3-Hexyl-3-decen-1-yl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
3-Decen-1-ol, 3-hexyl-, 4-methylbenzenesulfonate, (3Z)- [ACD/Index Name]
4-Méthylbenzènesulfonate de (3Z)-3-hexyl-3-décén-1-yle [French] [ACD/IUPAC Name]
(3Z)-3-HEXYLDEC-3-EN-1-YL 4-METHYLBENZENESULFONATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 498.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 255.0±22.9 °C
Index of Refraction: 1.498
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 8.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1048822.25
ACD/LogD (pH 7.4): 8.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1048822.25
Polar Surface Area: 52 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 394.9±3.0 cm3

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