ChemSpider 2D Image | Ethyl 4-[(2,5-diethoxy-4-methylphenyl)sulfonyl]-1-piperazinecarboxylate | C18H28N2O6S

Ethyl 4-[(2,5-diethoxy-4-methylphenyl)sulfonyl]-1-piperazinecarboxylate

  • Molecular FormulaC18H28N2O6S
  • Average mass400.490 Da
  • Monoisotopic mass400.166809 Da
  • ChemSpider ID25987727

More details:

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

1-Piperazinecarboxylic acid, 4-[(2,5-diethoxy-4-methylphenyl)sulfonyl]-, ethyl ester [ACD/Index Name]
4-[(2,5-Diéthoxy-4-méthylphényl)sulfonyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(2,5-diethoxy-4-methylphenyl)sulfonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(2,5-diethoxy-4-methylphenyl)sulfonyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
QHZJIUFCURRJPV-UHFFFAOYSA-N

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.22
ACD/KOC (pH 5.5): 817.27
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.22
ACD/KOC (pH 7.4): 817.27
Polar Surface Area: 94 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 327.3±3.0 cm3

Click to predict properties on the Chemicalize site


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