ChemSpider 2D Image | 2-(Isobutylsulfanyl)ethyl 3-hydroxy-4-methylbenzoate | C14H20O3S

2-(Isobutylsulfanyl)ethyl 3-hydroxy-4-methylbenzoate

  • Molecular FormulaC14H20O3S
  • Average mass268.372 Da
  • Monoisotopic mass268.113312 Da
  • ChemSpider ID30393087

More details:

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

2-(Isobutylsulfanyl)ethyl 3-hydroxy-4-methylbenzoate [ACD/IUPAC Name]
2-(Isobutylsulfanyl)ethyl-3-hydroxy-4-methylbenzoat [German] [ACD/IUPAC Name]
3-Hydroxy-4-méthylbenzoate de 2-(isobutylsulfanyl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-4-methyl-, 2-[(2-methylpropyl)thio]ethyl ester [ACD/Index Name]
2-[(2-METHYLPROPYL)SULFANYL]ETHYL 3-HYDROXY-4-METHYLBENZOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 417.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 206.1±25.9 °C
Index of Refraction: 1.548
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1006.05
ACD/KOC (pH 5.5): 4907.50
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 997.16
ACD/KOC (pH 7.4): 4864.15
Polar Surface Area: 72 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 238.9±3.0 cm3

Click to predict properties on the Chemicalize site


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