Chemical Properties of 4,7,13,16-Tetraoxa-1,10-dithiacyclooctadecane-1,10-metho-p-tosylate

4,7,13,16-Tetraoxa-1,10-dithiacyclooctadecane-1,10-metho-p-tosylate

InChI
InChI=1S/C28H44O10S4/c1-25-5-9-27(10-6-25)41(29,30)37-39(3)21-17-33-13-15-35-19-23-40(4,24-20-36-16-14-34-18-22-39)38-42(31,32)28-11-7-26(2)8-12-28/h5-12H,13-24H2,1-4H3
InChI Key
DZSCWYJYKXSIIX-UHFFFAOYSA-N
Formula
C28H44O10S4
SMILES
Cc1ccc(S(=O)(=O)OS2(C)CCOCCOCCS(C)(OS(=O)(=O)c3ccc(C)cc3)CCOCCOCC2)cc1
Molecular Weight1
668.92
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Physical Properties

Property Value Unit Source
ΔfusH° 78.78 kJ/mol Joback Calculated Property
logPoct/wat 4.193 Crippen Calculated Property
McVol 479.700 ml/mol McGowan Calculated Property
Tboil 891.49 K Relay (1.0) Calculated Property
Tfus 375.09 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [654.39; 1591.23] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.17270e+02
Coefficient B1.96568e+00
Coefficient C1.93680e-04
Coefficient D-6.85400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 654.39 J/mol×K 273.00 Calculated Property
Cp,gas 806.58 J/mol×K 353.78 Calculated Property
Cp,gas 951.80 J/mol×K 434.56 Calculated Property
Cp,gas 1087.88 J/mol×K 515.33 Calculated Property
Cp,gas 1212.67 J/mol×K 596.11 Calculated Property
Cp,gas 1323.99 J/mol×K 676.89 Calculated Property
Cp,gas 1419.67 J/mol×K 757.67 Calculated Property
Cp,gas 1497.55 J/mol×K 838.44 Calculated Property
Cp,gas 1555.46 J/mol×K 919.22 Calculated Property
Cp,gas 1591.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Hydroxy-2-phenylethylamine, ferrocenylboronate. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. .delta.1-tetrahydrocannabinolic acid, n-butyl-boronate. Betamethasone tetra-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»)]-. Hydroxy-N-methylcytisine. 5,6-Dihydrouracil riboside, TMS. Sophoramine. azadirachtin. cefuroxime acid. Cialis. Tinctorine. 5-«alpha»-Pregnan-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. 5-«alpha»-Pregnan-3-«alpha»-ol, 20-«alpha»-GlcNAc, MeTMS.

Find more compounds similar to 4,7,13,16-Tetraoxa-1,10-dithiacyclooctadecane-1,10-metho-p-tosylate.

Sources

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