Chemical Properties of 5,5'-Thiodisalicylic acid, dimethyl ester (CAS 24483-72-5)

5,5'-Thiodisalicylic acid, dimethyl ester

InChI
InChI=1S/C16H14O6S/c1-21-15(19)11-7-9(3-5-13(11)17)23-10-4-6-14(18)12(8-10)16(20)22-2/h3-8,17-18H,1-2H3
InChI Key
KVTWYSPFORFKDI-UHFFFAOYSA-N
Formula
C16H14O6S
SMILES
COC(=O)c1cc(Sc2ccc(O)c(C(=O)OC)c2)ccc1O
Molecular Weight1
334.34
CAS
24483-72-5
Other Names
  • Thio bis-(5,5'-salicylic acid, dimethyl ester)
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Physical Properties

Property Value Unit Source
ΔfH°gas -845.17 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.93 kJ/mol Joback Calculated Property
IE 7.90 eV Relay (1.0) Calculated Property
log10WS -4.63 Relay (1.0) Calculated Property
logPoct/wat 2.822 Crippen Calculated Property
McVol 231.750 ml/mol McGowan Calculated Property
Pc 3096.73 kPa Joback Calculated Property
Tboil 673.16 K Relay (1.0) Calculated Property
Tc 969.89 K Relay (1.0) Calculated Property
Tfus 408.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, 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 [683.35; 741.35] J/mol×K [975.46; 1234.49] Show Hide
Cp,gas 683.35 J/mol×K 975.46 Joback Calculated Property
Cp,gas 693.70 J/mol×K 1018.63 Joback Calculated Property
Cp,gas 703.59 J/mol×K 1061.80 Joback Calculated Property
Cp,gas 713.15 J/mol×K 1104.98 Joback Calculated Property
Cp,gas 722.53 J/mol×K 1148.15 Joback Calculated Property
Cp,gas 731.89 J/mol×K 1191.32 Joback Calculated Property
Cp,gas 741.35 J/mol×K 1234.49 Joback Calculated Property

Similar Compounds

5-(Methylthio)salicylic acid, methyl ester. methyl salicylate. 5-(Methylthio)-Salicylic acid, O,O'-dimethyl-. Benzoic acid, 2,5-dihydroxy-, methyl ester. Methyl 5-methoxysalicylate. 5-(Methylthio)salicylic acid, trimethylsilyl ester. Ethylene glycol, O-trimethylsilyl-, O'-salicylate. 2-[(2-Hydroxybenzoyl)oxy]ethyl salicylate. Ethylene glycol, O-methyl-, O'-salicylate. Benzoic acid, 2-hydroxy-, ethyl ester. 2-HYDROXYETHYL SALICYLATE. Benzoic acid, 2-hydroxy-5-sulfo-. 2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester. Benzoic acid, 2-hydroxy-, 2-methylpropyl ester. 1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester.

Find more compounds similar to 5,5'-Thiodisalicylic acid, dimethyl ester.

Sources

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