Chemical Properties of 4-Tert-butylphenyl benzene sulfonate (CAS 160788-98-7)

4-Tert-butylphenyl benzene sulfonate

InChI
InChI=1S/C16H18O3S/c1-16(2,3)13-9-11-14(12-10-13)19-20(17,18)15-7-5-4-6-8-15/h4-12H,1-3H3
InChI Key
GLHUQIUKLSAEEK-UHFFFAOYSA-N
Formula
C16H18O3S
SMILES
CC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)cc1
Molecular Weight1
290.38
CAS
160788-98-7
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Physical Properties

Property Value Unit Source
ω 0.6603 Relay (1.0) Calculated Property
ΔfG° -271.67 kJ/mol Joback Calculated Property
ΔfH°gas -394.69 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.04 kJ/mol Joback Calculated Property
ΔvapH° 93.15 kJ/mol Relay (1.0) Calculated Property
IE 8.40 eV Relay (1.0) Calculated Property
log10WS -5.21 Relay (1.0) Calculated Property
logPoct/wat 3.752 Crippen Calculated Property
McVol 222.740 ml/mol McGowan Calculated Property
Pc 2629.85 kPa Joback Calculated Property
Tboil 627.64 K Relay (1.0) Calculated Property
Tc 904.51 K Relay (1.0) Calculated Property
Tfus 354.80 K Relay (1.0) Calculated Property
Vc 0.801 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [591.10; 675.48] J/mol×K [690.79; 921.71] Show Hide
Cp,gas 591.10 J/mol×K 690.79 Joback Calculated Property
Cp,gas 608.60 J/mol×K 729.28 Joback Calculated Property
Cp,gas 624.66 J/mol×K 767.76 Joback Calculated Property
Cp,gas 639.32 J/mol×K 806.25 Joback Calculated Property
Cp,gas 652.64 J/mol×K 844.74 Joback Calculated Property
Cp,gas 664.67 J/mol×K 883.22 Joback Calculated Property
Cp,gas 675.48 J/mol×K 921.71 Joback Calculated Property

Similar Compounds

P-chlorophenyl-p-toluenesulfonate. Phenol, 2,4-dichloro-, benzenesulfonate. Benzenesulfonic acid, 4-chlorophenyl ester. Metanephrine, N-isoBOC, O-TBDMS. Thymol blue. Synephryne, N-isoBOC, O-TBDMS. Epinephrine, N-isoBOC, O-TBDMS. 2-[[tert-Butyl(dimethyl)silyl](methyl)amino]-1-(4-pyrrol[tert-butyl(dimethyl)silyl]oxymorpho-3-methoxyphenyl)ethanol. Chlorprothixene M (HO-dihydro-), monoacetylated. Warfarin, pentafluoropropionate. Warfarin, heptafluorobutyrate. Normetanephryne, N-isoBOC, O-TBDMS. 1-Methyl-3-(beta-morpholinoethyl)-3-phenyloxindole. Oxypertine. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-OH-alkyl-), (threo), 3AC.

Find more compounds similar to 4-Tert-butylphenyl benzene sulfonate.

Sources

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