Chemical Properties of Diphenacyl isophthalate (CAS 116345-97-2)

Diphenacyl isophthalate

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InChI
InChI=1S/C24H18O6/c25-21(17-8-3-1-4-9-17)15-29-23(27)19-12-7-13-20(14-19)24(28)30-16-22(26)18-10-5-2-6-11-18/h1-14H,15-16H2
InChI Key
NWTODHNVXLOHFQ-UHFFFAOYSA-N
Formula
C24H18O6
SMILES
O=C(COC(=O)c1cccc(C(=O)OCC(=O)c2ccccc2)c1)c1ccccc1
Molecular Weight1
402.40
CAS
116345-97-2
Sources

Physical Properties

Property Value Unit Source
Δf -246.88 kJ/mol Joback Calculated Property
Δfgas -555.33 kJ/mol Joback Calculated Property
Δfus 48.42 kJ/mol Joback Calculated Property
Δvap 108.31 kJ/mol Joback Calculated Property
logPoct/wat 3.77 Crippen Calculated Property
Pc 1848.33 kPa Joback Calculated Property
Tboil 1093.86 K Joback Calculated Property
Tc 1351.75 K Joback Calculated Property
Tfus 696.20 K Joback Calculated Property
Vc 1.12 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 913.01 J/mol×K 1093.86 Joback Calculated Property
η 0.00 Pa×s 1093.86 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< (ring) 4
-CH2- 2
>C=O (nonring) 4
=CH- (ring) 14

Similar Compounds

Isophthalic acid, ethyl phenylethyl ester. Isophthalic acid, phenylethyl propyl ester. Isophthalic acid, butyl phenylethyl ester. Isophthalic acid, isobutyl phenylethyl ester. Isophthalic acid, pentyl phenylethyl ester. Isophthalic acid, hexyl phenylethyl ester. Isophthalic acid, heptyl phenylethyl ester. Isophthalic acid, isohexyl phenylethyl ester. Isophthalic acid, octyl phenylethyl ester. Isophthalic acid, nonyl phenylethyl ester. Isophthalic acid, dodecyl phenylethyl ester. Isophthalic acid, phenylethyl undecyl ester. 1,3-Benzenedicarboxylic acid, diethyl ester. 1,3,5-Benzenetricarboxylic acid, triethyl ester. Benzoic acid, 2-phenylethyl ester.

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