ChemSpider 2D Image | Hexyl ({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)acetate | C20H32O4S

Hexyl ({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)acetate

  • Molecular FormulaC20H32O4S
  • Average mass368.531 Da
  • Monoisotopic mass368.202118 Da
  • ChemSpider ID59387749

More details:

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

({2-[4-(2-Méthyl-2-propanyl)phénoxy]éthyl}sulfinyl)acétate d'hexyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[4-(1,1-dimethylethyl)phenoxy]ethyl]sulfinyl]-, hexyl ester [ACD/Index Name]
Hexyl ({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)acetate [ACD/IUPAC Name]
Hexyl-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)acetat [German] [ACD/IUPAC 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: 519.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.7±28.7 °C
Index of Refraction: 1.519
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7616.60
ACD/KOC (pH 5.5): 20900.43
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7616.60
ACD/KOC (pH 7.4): 20900.43
Polar Surface Area: 72 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

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