ChemSpider 2D Image | 2-({4-[3-(2,3-Dimethylphenoxy)propoxy]phenyl}sulfanyl)hexanoic acid | C23H30O4S

2-({4-[3-(2,3-Dimethylphenoxy)propoxy]phenyl}sulfanyl)hexanoic acid

  • Molecular FormulaC23H30O4S
  • Average mass402.547 Da
  • Monoisotopic mass402.186493 Da
  • ChemSpider ID24622384

More details:

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

2-({4-[3-(2,3-Dimethylphenoxy)propoxy]phenyl}sulfanyl)hexanoic acid [ACD/IUPAC Name]
2-({4-[3-(2,3-Dimethylphenoxy)propoxy]phenyl}sulfanyl)hexansäure [German] [ACD/IUPAC Name]
Acide 2-({4-[3-(2,3-diméthylphénoxy)propoxy]phényl}sulfanyl)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2-[[4-[3-(2,3-dimethylphenoxy)propoxy]phenyl]thio]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.4±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 226.95
ACD/KOC (pH 5.5): 465.35
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 13.56
Polar Surface Area: 81 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 349.3±5.0 cm3

Click to predict properties on the Chemicalize site


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