ChemSpider 2D Image | 2-({4-[3-(2-Isopropylphenoxy)propoxy]phenyl}sulfanyl)hexanoic acid | C24H32O4S

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

  • Molecular FormulaC24H32O4S
  • Average mass416.573 Da
  • Monoisotopic mass416.202118 Da
  • ChemSpider ID24627089

More details:

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

2-({4-[3-(2-Isopropylphenoxy)propoxy]phenyl}sulfanyl)hexanoic acid [ACD/IUPAC Name]
2-({4-[3-(2-Isopropylphenoxy)propoxy]phenyl}sulfanyl)hexansäure [German] [ACD/IUPAC Name]
Acide 2-({4-[3-(2-isopropylphénoxy)propoxy]phényl}sulfanyl)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2-[[4-[3-[2-(1-methylethyl)phenoxy]propoxy]phenyl]thio]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 478.00
ACD/KOC (pH 5.5): 792.93
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 13.94
ACD/KOC (pH 7.4): 23.12
Polar Surface Area: 81 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 366.5±5.0 cm3

Click to predict properties on the Chemicalize site


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