Chemical Properties of Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester

Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester

InChI
InChI=1S/C30H22O8S/c31-27(21-9-3-1-4-10-21)19-37-29(33)23-13-7-15-25(17-23)39(35,36)26-16-8-14-24(18-26)30(34)38-20-28(32)22-11-5-2-6-12-22/h1-18H,19-20H2
InChI Key
OLGCDFZBUZUSOG-UHFFFAOYSA-N
Formula
C30H22O8S
SMILES
O=C(COC(=O)c1cccc(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)c1)c1ccccc1
Molecular Weight1
542.57
Other Names
  • Sulfonyl-m,m'-dibenzoic acid, diphenacyl ester
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Physical Properties

Property Value Unit Source
ω 1.1543 Relay (1.0) Calculated Property
ΔfusH° 72.16 kJ/mol Joback Calculated Property
ΔvapH° 173.34 kJ/mol Relay (1.0) Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
log10WS -6.57 Relay (1.0) Calculated Property
logPoct/wat 4.599 Crippen Calculated Property
McVol 384.630 ml/mol McGowan Calculated Property
Pc 1583.49 kPa Joback Calculated Property
Tboil 848.55 K Relay (1.0) Calculated Property
Tc 1225.05 K Relay (1.0) Calculated Property
Tfus 442.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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 [1124.04; 1179.08] J/mol×K [1274.64; 1560.52] Show Hide
Cp,gas 1179.08 J/mol×K 1274.64 Joback Calculated Property
Cp,gas 1175.18 J/mol×K 1322.29 Joback Calculated Property
Cp,gas 1169.00 J/mol×K 1369.93 Joback Calculated Property
Cp,gas 1160.66 J/mol×K 1417.58 Joback Calculated Property
Cp,gas 1150.30 J/mol×K 1465.23 Joback Calculated Property
Cp,gas 1138.05 J/mol×K 1512.87 Joback Calculated Property
Cp,gas 1124.04 J/mol×K 1560.52 Joback Calculated Property

Similar Compounds

Sulfonyl-o,p'-diphenacyldibenzoate. Sulfonyl-o,m'-dibenzoic acid, diphenacyl ester. Sulfonyl-o,o'-diphenacyldibenzoate. Thio-o,o'-benzoic acid, diphenacyl ester. cannabidiolic acid, n-butyl-boronate. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. 11-Ketoestradiol (enol), TMS. cannabidiolic acid, methyl-boronate. 5,6-Dehydro-7,9-dihydroxy-7H-pyrrolizineethyl ether. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl.

Find more compounds similar to Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester.

Sources

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