Chemical Properties of 2,2'-Thiodi-p-cresol (CAS 2929-96-6)

2,2'-Thiodi-p-cresol

InChI
InChI=1S/C14H14O2S/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3
InChI Key
CHNWLKJYOVQXOG-UHFFFAOYSA-N
Formula
C14H14O2S
SMILES
Cc1ccc(O)c(Sc2cc(C)ccc2O)c1
Molecular Weight1
246.32
CAS
2929-96-6
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Physical Properties

Property Value Unit Source
ΔfH°gas -171.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.02 kJ/mol Joback Calculated Property
ΔvapH° 111.04 kJ/mol Relay (1.0) Calculated Property
IE 7.56 eV Relay (1.0) Calculated Property
log10WS -4.13 Relay (1.0) Calculated Property
logPoct/wat 3.866 Crippen Calculated Property
McVol 188.690 ml/mol McGowan Calculated Property
Pc 3834.03 kPa Joback Calculated Property
Tboil 608.68 K Relay (1.0) Calculated Property
Tc 909.01 K Relay (1.0) Calculated Property
Tfus 433.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [518.74; 593.36] J/mol×K [813.26; 1085.04] Show Hide
Cp,gas 518.74 J/mol×K 813.26 Joback Calculated Property
Cp,gas 531.68 J/mol×K 858.56 Joback Calculated Property
Cp,gas 544.12 J/mol×K 903.85 Joback Calculated Property
Cp,gas 556.29 J/mol×K 949.15 Joback Calculated Property
Cp,gas 568.41 J/mol×K 994.45 Joback Calculated Property
Cp,gas 580.69 J/mol×K 1039.75 Joback Calculated Property
Cp,gas 593.36 J/mol×K 1085.04 Joback Calculated Property

Similar Compounds

Phenol, 2,2'-sulfinylbis[4-methyl-. 2-Methylphenoxathiin. Bis(2-hydroxyphenyl)sulfide. 2,2'-THIOBIS(4-CHLOROPHENOL). Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-. 6-(Dimethylaminomethyl)-2,2'-thio-bis-(4-chlorophenol). Phenol, 2,2'-sulfinylbis[4-chloro-. 2,2'-Thiobis(4-bromophenol). 3,7-DIMETHYLPHENOTHIAZINE. 2,2'-Thiobis[4-fluorophenol]. 6-Methoxy-m-toluenesulfonyl chloride. 2,2',5,5'-TETRAMETHYLDIPHENYLSULPHONE. 2,4,4'-Trimethyldiphenylsulphone. Santonox. 5,5'-Thiodisalicylic acid, dimethyl ester.

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Sources

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