ChemSpider 2D Image | {[2-(4-Isopropyl-3-methylphenoxy)ethyl]sulfanyl}acetic acid | C14H20O3S

{[2-(4-Isopropyl-3-methylphenoxy)ethyl]sulfanyl}acetic acid

  • Molecular FormulaC14H20O3S
  • Average mass268.372 Da
  • Monoisotopic mass268.113312 Da
  • ChemSpider ID29279355

More details:

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

{[2-(4-Isopropyl-3-methylphenoxy)ethyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[2-(4-Isopropyl-3-methylphenoxy)ethyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[3-methyl-4-(1-methylethyl)phenoxy]ethyl]thio]- [ACD/Index Name]
Acide {[2-(4-isopropyl-3-méthylphénoxy)éthyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
2-({2-[3-methyl-4-(propan-2-yl)phenoxy]ethyl}sulfanyl)acetic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.5±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 8.93
ACD/KOC (pH 5.5): 53.16
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 72 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 237.9±3.0 cm3

Click to predict properties on the Chemicalize site


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