Chemical Properties of Terephthalic acid, but-3-enyl propyl ester

Terephthalic acid, but-3-enyl propyl ester

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InChI
InChI=1S/C15H18O4/c1-3-5-11-19-15(17)13-8-6-12(7-9-13)14(16)18-10-4-2/h3,6-9H,1,4-5,10-11H2,2H3
InChI Key
CKYKRJSNKQFRSU-UHFFFAOYSA-N
Formula
C15H18O4
SMILES
C=CCCOC(=O)c1ccc(C(=O)OCCC)cc1
Molecular Weight1
262.30
Sources

Physical Properties

Property Value Unit Source
Δf -201.80 kJ/mol Joback Calculated Property
Δfgas -492.04 kJ/mol Joback Calculated Property
Δfus 32.55 kJ/mol Joback Calculated Property
Δvap 69.56 kJ/mol Joback Calculated Property
logPoct/wat 2.99 Crippen Calculated Property
Pc 2051.17 kPa Joback Calculated Property
Tboil 723.52 K Joback Calculated Property
Tc 930.26 K Joback Calculated Property
Tfus 440.31 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 569.26 J/mol×K 723.52 Joback Calculated Property
η 0.00 Pa×s 723.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=CH2 1
=C< (ring) 2
-CH2- 4
=CH- 1
-CH3 1

Similar Compounds

Terephthalic acid, but-3-enyl ethyl ester. Terephthalic acid, di(but-3-enyl) ester. Dipropyl terephthalate. 3-Butenyl benzoate. Terephthalic acid, but-3-enyl hexyl ester. 1,4-Benzenedicarboxylic acid, bis(2-methylpropyl) ester. Dibutyl terephthalate. Terephthalic acid, but-3-enyl heptyl ester. Terephthalic acid, but-3-enyl undecyl ester. Terephthalic acid, but-3-enyl dodecyl ester. Terephthalic acid, but-3-enyl tetradecyl ester. Terephthalic acid, but-3-enyl hexadecyl ester. Terephthalic acid, but-3-enyl octyl ester. Terephthalic acid, but-3-enyl tridecyl ester. Terephthalic acid, but-3-enyl heptadecyl ester.

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