ChemSpider 2D Image | 2-{2-[4-(Octyloxy)phenoxy]ethoxy}ethanethiol | C18H30O3S

2-{2-[4-(Octyloxy)phenoxy]ethoxy}ethanethiol

  • Molecular FormulaC18H30O3S
  • Average mass326.494 Da
  • Monoisotopic mass326.191559 Da
  • ChemSpider ID28592714

More details:

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

2-{2-[4-(Octyloxy)phenoxy]ethoxy}ethanethiol [ACD/IUPAC Name]
2-{2-[4-(Octyloxy)phénoxy]éthoxy}éthanethiol [French] [ACD/IUPAC Name]
2-{2-[4-(Octyloxy)phenoxy]ethoxy}ethanthiol [German] [ACD/IUPAC Name]
Ethanethiol, 2-[2-[4-(octyloxy)phenoxy]ethoxy]- [ACD/Index Name]
2-(2-(4-(Octyloxy)phenoxy)ethoxy)ethanethiol
2-{2-[4-(Octyloxy)phenoxy]ethoxy}ethane-1-thiol
649739-42-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 442.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 221.6±25.9 °C
Index of Refraction: 1.504
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20934.35
ACD/KOC (pH 5.5): 43097.10
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 20816.56
ACD/KOC (pH 7.4): 42854.61
Polar Surface Area: 66 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site


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