Chemical Properties of 4-Toluenesulfonic acid 4-azulylethyl ester

4-Toluenesulfonic acid 4-azulylethyl ester

InChI
InChI=1S/C19H18O3S/c1-15-9-11-18(12-10-15)23(20,21)22-14-13-17-6-3-2-5-16-7-4-8-19(16)17/h2-12H,13-14H2,1H3
InChI Key
INMMWFDWWQDEBX-UHFFFAOYSA-N
Formula
C19H18O3S
SMILES
Cc1ccc(S(=O)(=O)OCCc2ccccc3cccc2-3)cc1
Molecular Weight1
326.42
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Physical Properties

Property Value Unit Source
ΔfusH° 41.85 kJ/mol Joback Calculated Property
IE 7.30 eV NIST
logPoct/wat 4.048 Crippen Calculated Property
McVol 245.550 ml/mol McGowan Calculated Property
Tboil 721.41 K Relay (1.0) Calculated Property
Tfus 342.48 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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 [319.55; 753.37] 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 A-2.62980e+01
Coefficient B1.49871e+00
Coefficient C-8.98240e-04
Coefficient D1.79200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 319.55 J/mol×K 273.00 Calculated Property
Cp,gas 399.42 J/mol×K 353.78 Calculated Property
Cp,gas 470.06 J/mol×K 434.56 Calculated Property
Cp,gas 532.02 J/mol×K 515.33 Calculated Property
Cp,gas 585.87 J/mol×K 596.11 Calculated Property
Cp,gas 632.18 J/mol×K 676.89 Calculated Property
Cp,gas 671.52 J/mol×K 757.67 Calculated Property
Cp,gas 704.46 J/mol×K 838.44 Calculated Property
Cp,gas 731.55 J/mol×K 919.22 Calculated Property
Cp,gas 753.37 J/mol×K 1000.00 Calculated Property

Similar Compounds

cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, bis-TMS. N-Desmethylmirtazapine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Thymine, 1-alpha-l-rhamnopyranosyl-. azadirachtin. risperidone. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Benzquinamide M (N-des-Et), acetylated. Isocorydine. Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-TMS. (+)-Roemerine.

Find more compounds similar to 4-Toluenesulfonic acid 4-azulylethyl ester.

Sources

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