Chemical Properties of Sulfonyl bis(p,p'-benzoic acid) 5-hydroxy pentyl ester (CAS 102955-13-5)

Sulfonyl bis(p,p'-benzoic acid) 5-hydroxy pentyl ester

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InChI
InChI=1S/C24H30O8S/c25-15-3-1-5-17-31-23(27)19-7-11-21(12-8-19)33(29,30)22-13-9-20(10-14-22)24(28)32-18-6-2-4-16-26/h7-14,25-26H,1-6,15-18H2
InChI Key
SHLVXOQSMQFIJT-UHFFFAOYSA-N
Formula
C24H30O8S
SMILES
O=C(OCCCCCO)c1ccc(S(=O)(=O)c2ccc(C(=O)OCCCCCO)cc2)cc1
Molecular Weight1
478.55
CAS
102955-13-5
Sources

Physical Properties

Property Value Unit Source
Δf -853.26 kJ/mol Joback Calculated Property
Δfgas -1335.98 kJ/mol Joback Calculated Property
Δfus 70.35 kJ/mol Joback Calculated Property
Δvap 145.20 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 1653.80 kPa Joback Calculated Property
Tboil 1196.56 K Joback Calculated Property
Tc 1494.72 K Joback Calculated Property
Tfus 742.64 K Joback Calculated Property
Vc 1.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1180.59 J/mol×K 1196.56 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=CH- (ring) 8
-OH (alcohol) 2
-S- 1
=C< (ring) 4
-CH2- 10
=O 2
>C=O (nonring) 2

Similar Compounds

Benzoic acid, sulfonyl di-p,p'-dimethyl ester. P,p'-sulfonyl dibenzoic acid. Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-. M,p'-sulfonyl dibenzoic acid. Benzoic acid, 4-(methylthio)-, pentyl ester. Bis-(3-phthalyl anhydride) sulfone. Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester. Sulfonyl-o,m'-dibenzoic acid, diphenacyl ester. Sulfonyl-o,p'-diphenacyldibenzoate. Benzoic acid, 4-(methylthio)-, butyl ester. Benzoic acid, 4-(methylthio)-, 3-methylbutyl ester. Sulfonyl-o,o'-diphenacyldibenzoate. 4-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 4-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 4-(butylthio)-, butyl ester.

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