ChemSpider 2D Image | Ethyl 5-[(2-methoxy-2-oxoethyl)sulfanyl]-2,2-dimethylpentanoate | C12H22O4S

Ethyl 5-[(2-methoxy-2-oxoethyl)sulfanyl]-2,2-dimethylpentanoate

  • Molecular FormulaC12H22O4S
  • Average mass262.366 Da
  • Monoisotopic mass262.123871 Da
  • ChemSpider ID65241971

More details:

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

5-[(2-Méthoxy-2-oxoéthyl)sulfanyl]-2,2-diméthylpentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(2-methoxy-2-oxoethyl)sulfanyl]-2,2-dimethylpentanoate [ACD/IUPAC Name]
Ethyl-5-[(2-methoxy-2-oxoethyl)sulfanyl]-2,2-dimethylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 5-[(2-methoxy-2-oxoethyl)thio]-2,2-dimethyl-, ethyl ester [ACD/Index Name]
2095410-20-9 [RN]
MFCD30734094

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

Density: 1.1±0.1 g/cm3
Boiling Point: 317.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 135.2±11.7 °C
Index of Refraction: 1.471
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.69
ACD/KOC (pH 5.5): 998.00
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.69
ACD/KOC (pH 7.4): 998.00
Polar Surface Area: 78 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 247.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement