ChemSpider 2D Image | Octyl (3E)-2-(dodecylsulfanyl)-4-hydroxy-4-(octyloxy)-3-butenoate | C32H62O4S

Octyl (3E)-2-(dodecylsulfanyl)-4-hydroxy-4-(octyloxy)-3-butenoate

  • Molecular FormulaC32H62O4S
  • Average mass542.897 Da
  • Monoisotopic mass542.436890 Da
  • ChemSpider ID95698480

More details:

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

(3E)-2-(Dodécylsulfanyl)-4-hydroxy-4-(octyloxy)-3-buténoate d'octyle [French] [ACD/IUPAC Name]
3-Butenoic acid, 2-(dodecylthio)-4-hydroxy-4-(octyloxy)-, octyl ester, (3E)- [ACD/Index Name]
Octyl (3E)-2-(dodecylsulfanyl)-4-hydroxy-4-(octyloxy)-3-butenoate [ACD/IUPAC Name]
Octyl-(3E)-2-(dodecylsulfanyl)-4-hydroxy-4-(octyloxy)-3-butenoat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 625.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.483
Molar Refractivity: 163.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 15.71
ACD/LogD (pH 5.5): 13.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 81 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 571.9±3.0 cm3

Click to predict properties on the Chemicalize site


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