Chemical Properties of 4-Toluenesulfonic acid 4-azulylethyl ester (CAS 26154-63-2)

4-Toluenesulfonic acid 4-azulylethyl ester

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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
326.41
CAS
26154-63-2
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Physical Properties

Property Value Unit Source
ΔfG° -152.23 kJ/mol Joback Calculated Property
ΔfH°gas -379.87 kJ/mol Joback Calculated Property
ΔfusH° 41.85 kJ/mol Joback Calculated Property
ΔvapH° 86.45 kJ/mol Joback Calculated Property
IE 7.30 eV NIST
log10WS -5.77 Crippen Calculated Property
logPoct/wat 4.048 Crippen Calculated Property
McVol 245.550 ml/mol McGowan Calculated Property
Pc 2433.84 kPa Joback Calculated Property
Tboil 786.62 K Joback Calculated Property
Tc 1018.90 K Joback Calculated Property
Tfus 475.26 K Joback Calculated Property
Vc 0.950 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [684.04; 757.78] J/mol×K [786.62; 1018.90] Show Hide
Cp,gas 684.04 J/mol×K 786.62 Joback Calculated Property
Cp,gas 699.52 J/mol×K 825.33 Joback Calculated Property
Cp,gas 713.65 J/mol×K 864.05 Joback Calculated Property
Cp,gas 726.48 J/mol×K 902.76 Joback Calculated Property
Cp,gas 738.06 J/mol×K 941.47 Joback Calculated Property
Cp,gas 748.48 J/mol×K 980.18 Joback Calculated Property
Cp,gas 757.78 J/mol×K 1018.90 Joback Calculated Property

Similar Compounds

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

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

Sources

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