Chemical Properties of 4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trifluoroacetyl-

4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trifluoroacetyl-

InChI
InChI=1S/C11H9ClF3NO5S/c1-6(21-10(18)11(13,14)15)9(17)16-22(19,20)8-4-2-7(12)3-5-8/h2-6H,1H3,(H,16,17)
InChI Key
XJVUBPGZNBCJIR-UHFFFAOYSA-N
Formula
C11H9ClF3NO5S
SMILES
CC(OC(=O)C(F)(F)F)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
Molecular Weight1
359.71
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Physical Properties

Property Value Unit Source
ΔfusH° 42.84 kJ/mol Joback Calculated Property
log10WS -3.06 Relay (1.0) Calculated Property
logPoct/wat 1.639 Crippen Calculated Property
McVol 206.720 ml/mol McGowan Calculated Property
Inp [1847.00; 1847.00]   Show Hide
Inp 1847.00 NIST
Inp 1847.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [299.81; 600.00] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.30900e+01
Coefficient B1.11131e+00
Coefficient C-6.53060e-04
Coefficient D9.86600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 299.81 J/mol×K 273.00 Calculated Property
Cp,gas 358.88 J/mol×K 353.78 Calculated Property
Cp,gas 410.79 J/mol×K 434.56 Calculated Property
Cp,gas 455.86 J/mol×K 515.33 Calculated Property
Cp,gas 494.39 J/mol×K 596.11 Calculated Property
Cp,gas 526.70 J/mol×K 676.89 Calculated Property
Cp,gas 553.11 J/mol×K 757.67 Calculated Property
Cp,gas 573.92 J/mol×K 838.44 Calculated Property
Cp,gas 589.45 J/mol×K 919.22 Calculated Property
Cp,gas 600.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-acetyl-. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-trifluoroacetyl-. 4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-methyl-. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-acetyl-. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-pentafluoropropionyl-. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-heptafluorobutyryl-. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-methyl-. 4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trimethylsilyl-. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-trimethylsilyl-. N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-tert.-butyldimethylsilyl-. L-Tryptophan, N,1-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester. Oxycodone. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Oxycodone, trimethylsilyl ether.

Find more compounds similar to 4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trifluoroacetyl-.

Sources

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