Chemical Properties of Thio-o,o'-benzoic acid, diphenacyl ester (CAS 116435-10-0)

Thio-o,o'-benzoic acid, diphenacyl ester

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InChI
InChI=1S/C30H22O6S/c31-25(21-11-3-1-4-12-21)19-35-29(33)23-15-7-9-17-27(23)37-28-18-10-8-16-24(28)30(34)36-20-26(32)22-13-5-2-6-14-22/h1-18H,19-20H2
InChI Key
YAOINMIXANHPKJ-UHFFFAOYSA-N
Formula
C30H22O6S
SMILES
O=C(COC(=O)c1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccccc1)c1ccccc1
Molecular Weight1
510.56
CAS
116435-10-0
Sources

Physical Properties

Property Value Unit Source
Δf -60.46 kJ/mol Joback Calculated Property
Δfgas -412.24 kJ/mol Joback Calculated Property
Δfus 61.74 kJ/mol Joback Calculated Property
Δvap 131.42 kJ/mol Joback Calculated Property
logPoct/wat 5.917 Crippen Calculated Property
Pc 1515.21 kPa Joback Calculated Property
Tboil 1331.58 K Joback Calculated Property
Tc 1630.61 K Joback Calculated Property
Tfus 837.16 K Joback Calculated Property
Vc 1.397 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1157.94 J/mol×K 1331.58 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=CH- (ring) 18
-CH2- 2
=C< (ring) 6
-S- 1
>C=O (nonring) 4

Similar Compounds

Benzoic acid, thio-2,2'-di. 2-(Methylthio)benzoic acid, 4-bromophenethyl ester. Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester. Sulfonyl-o,m'-dibenzoic acid, diphenacyl ester. Sulfonyl-o,p'-diphenacyldibenzoate. Sulfonyl-o,o'-diphenacyldibenzoate. O,o'-sulfinyl dibenzoic acid. Diphenacyl isophthalate. Benzoic acid, 2-(isopropylthio)-. Benzoic acid, 2-(2-methylbutyl)thio-. Benzoic acid, 2-(butylthio)-. Benzoic acid, 2-(pentylthio)-. Benzoic acid, 2-(methylthio)-, ethyl ester. Benzoic acid, 2-(ethylthio)-, ethyl ester. Benzoic acid, 2-(methylthio)-, isopropyl ester.

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