ChemSpider 2D Image | (1E)-1-(Dodecyloxy)-3-{[(2E)-3-hydroxy-3-(octadecyloxy)-2-propen-1-yl]sulfanyl}-1-propen-1-ol | C36H70O4S

(1E)-1-(Dodecyloxy)-3-{[(2E)-3-hydroxy-3-(octadecyloxy)-2-propen-1-yl]sulfanyl}-1-propen-1-ol

  • Molecular FormulaC36H70O4S
  • Average mass599.004 Da
  • Monoisotopic mass598.499451 Da
  • ChemSpider ID95777828

More details:

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

(1E)-1-(Dodecyloxy)-3-{[(2E)-3-hydroxy-3-(octadecyloxy)-2-propen-1-yl]sulfanyl}-1-propen-1-ol [German] [ACD/IUPAC Name]
(1E)-1-(Dodecyloxy)-3-{[(2E)-3-hydroxy-3-(octadecyloxy)-2-propen-1-yl]sulfanyl}-1-propen-1-ol [ACD/IUPAC Name]
(1E)-1-(Dodécyloxy)-3-{[(2E)-3-hydroxy-3-(octadécyloxy)-2-propén-1-yl]sulfanyl}-1-propén-1-ol [French] [ACD/IUPAC Name]
1-Propen-1-ol, 1-(dodecyloxy)-3-[[(2E)-3-hydroxy-3-(octadecyloxy)-2-propen-1-yl]thio]-, (1E)- [ACD/Index 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: 691.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.8±6.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.492
Molar Refractivity: 183.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 16.99
ACD/LogD (pH 5.5): 14.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 84 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 631.3±3.0 cm3

Click to predict properties on the Chemicalize site


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