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

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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
668.90
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Physical Properties

Property Value Unit Source
ΔfG° -1343.96 kJ/mol Joback Calculated Property
ΔfH°gas -2002.25 kJ/mol Joback Calculated Property
ΔfusH° 78.78 kJ/mol Joback Calculated Property
ΔvapH° 158.94 kJ/mol Joback Calculated Property
log10WS -4.86 Crippen Calculated Property
logPoct/wat 4.193 Crippen Calculated Property
McVol 479.700 ml/mol McGowan Calculated Property
Pc 1388.15 kPa Joback Calculated Property
Tboil 1325.48 K Joback Calculated Property
Tc 1624.07 K Joback Calculated Property
Tfus 781.86 K Joback Calculated Property
Vc 1.726 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [884.50; 1466.90] J/mol×K [1325.48; 1624.07] Show Hide
Cp,gas 1466.90 J/mol×K 1325.48 Joback Calculated Property
Cp,gas 1404.14 J/mol×K 1375.25 Joback Calculated Property
Cp,gas 1328.34 J/mol×K 1425.01 Joback Calculated Property
Cp,gas 1238.98 J/mol×K 1474.78 Joback Calculated Property
Cp,gas 1135.55 J/mol×K 1524.54 Joback Calculated Property
Cp,gas 1017.56 J/mol×K 1574.31 Joback Calculated Property
Cp,gas 884.50 J/mol×K 1624.07 Joback Calculated Property

Similar Compounds

2-Hydroxy-2-phenylethylamine, ferrocenylboronate. Betamethasone tetra-TMS. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. azadirachtin. Tinctorine. Sophoramine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. 5,6-Dihydrouracil riboside, TMS. Hydroxy-N-methylcytisine. 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 7-diacetyllycopsamine. Benzquinamide M (N-des-Et), acetylated. Pregnan-2,3,20-triol, GlcNAc, MeTMS.

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Sources

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