Chemical Properties of 1,3-Benzenedicarboxylic acid, diethyl ester (CAS 636-53-3)

1,3-Benzenedicarboxylic acid, diethyl ester

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InChI
InChI=1S/C12H14O4/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChI Key
JLVWYWVLMFVCDI-UHFFFAOYSA-N
Formula
C12H14O4
SMILES
CCOC(=O)c1cccc(C(=O)OCC)c1
Molecular Weight1
222.24
CAS
636-53-3
Other Names
  • Diethyl isophthalate
  • Diethyl isophthlate
  • Isophthalic acid, diethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -314.90 kJ/mol Joback Calculated Property
Δfgas -555.55 kJ/mol Joback Calculated Property
Δfus 26.06 kJ/mol Joback Calculated Property
Δvap 63.56 kJ/mol Joback Calculated Property
logPoct/wat 2.04 Crippen Calculated Property
Pc 2597.78 kPa Joback Calculated Property
Tboil [443.30; 575.20] K Show Hide
Tboil 575.20 K NIST
Tboil 558.00 K NIST
Tboil 575.15 ± 1.00 K NIST
Tboil 443.30 ± 0.30 K NIST
Tc 870.02 K Joback Calculated Property
Tfus 284.60 K NIST
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 436.51 J/mol×K 658.2 Joback Calculated Property
η 0.00 Pa×s 658.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-CH3 2

Similar Compounds

1,3,5-Benzenetricarboxylic acid, triethyl ester. Diallyl isophthalate. Dipropyl isophthalate. Isophthalic acid, 2-chloroethyl ethyl ester. Ethyl m-methylbenzoate. Isophthalic acid, ethyl 2-methoxyethyl ester. Isophthalic acid, di(2-methoxyethyl) ester. 1,3-Benzenedicarboxylic acid, monomethyl ester. 1,3-Benzenedicarboxylic acid, dimethyl ester. 1,3,5-Benzenetricarboxylic acid, trimethyl ester. Dibutyl isophthalate. Isophthalic acid, di(2-ethoxyethyl) ester. Isophthalic acid, 2-ethoxyethyl ethyl ester. Isophthalic acid, di(3-methylbut-2-en-1-yl) ester. Isophthalic acid, ethyl 3-methylbut-2-en-1-yl ester.

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