Chemical Properties of Diallyl isophthalate (CAS 1087-21-4)

Diallyl isophthalate

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InChI
InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2
InChI Key
OOORLLSLMPBSPT-UHFFFAOYSA-N
Formula
C14H14O4
SMILES
C=CCOC(=O)c1cccc(C(=O)OCC=C)c1
Molecular Weight1
246.26
CAS
1087-21-4
Other Names
  • 1,3-Benzenedicarboxylic acid, di-2-propenyl ester
  • Dapon M
  • Di-2-Propenyl isophthalate
  • Isophthalic acid, di-(2-propenyl) ester
  • Isophthalic acid, diallyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -122.38 kJ/mol Joback Calculated Property
Δfgas -345.97 kJ/mol Joback Calculated Property
Δfus 28.68 kJ/mol Joback Calculated Property
Δvap 66.67 kJ/mol Joback Calculated Property
logPoct/wat 2.37 Crippen Calculated Property
Pc 2333.78 kPa Joback Calculated Property
Tboil 697.32 K Joback Calculated Property
Tc 910.28 K Joback Calculated Property
Tfus 427.28 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 492.72 J/mol×K 697.32 Joback Calculated Property
η 0.00 Pa×s 697.32 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,3,5-Benzenetricarboxylic acid, triethyl ester. 1,3-Benzenedicarboxylic acid, diethyl ester. Isophthalic acid, di(3-methylbut-2-en-1-yl) ester. Isophthalic acid, ethyl 3-methylbut-2-en-1-yl ester. Isophthalic acid, 2-methylprop-2-en-1-yl propyl ester. Isophthalic acid, di(2-methylprop-2-en-1-yl) ester. Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester. M-toluic acid, 3-chloroprop-2-enyl ester. Dipropyl isophthalate. Isophthalic acid, 2-chloroethyl ethyl ester. Isophthalic acid, 3-methylbut-2-en-1-yl propyl ester. Ethyl m-methylbenzoate. Isophthalic acid, ethyl 2-methoxyethyl ester. Isophthalic acid, di(2-methoxyethyl) ester. M-toluic acid, 3-methylbut-2-enyl ester.

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