Chemical Properties of Dibutyl terephthalate (CAS 1962-75-0)

Dibutyl terephthalate

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InChI
InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChI Key
LQLQDKBJAIILIQ-UHFFFAOYSA-N
Formula
C16H22O4
SMILES
CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1
Molecular Weight1
278.34
CAS
1962-75-0
Other Names
  • 1,4-Benzenedicarboxylic acid, dibutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -281.22 kJ/mol Joback Calculated Property
Δfgas -638.11 kJ/mol Joback Calculated Property
Δfus 36.42 kJ/mol Joback Calculated Property
Δvap 72.46 kJ/mol Joback Calculated Property
logPoct/wat 3.60 Crippen Calculated Property
Pc 1816.95 kPa Joback Calculated Property
Tboil 453.00 K NIST
Tc 951.49 K Joback Calculated Property
Tfus 289.00 K NIST
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 648.45 J/mol×K 749.72 Joback Calculated Property
η 0.00 Pa×s 749.72 Joback Calculated Property
ΔvapH 86.20 kJ/mol 438.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
-CH3 2

Similar Compounds

p-Toluic acid, butyl ester. Dipentyl terephthalate. Terephthalic acid, di(3-methylbutyl) ester. Terephthalic acid, ethyl 3-methylbutyl ester. Terephthalic acid, butyl 3-methylbutyl ester. Dipropyl terephthalate. 1,4-Benzenedicarboxylic acid, dihexyl ester. p-Toluic acid, pentyl ester. Terephthalic acid, diheptyl ester. Terephthalic acid, heptyl pentyl ester. 1,4-Benzenedicarboxylic acid, dioctyl ester. Terephthalic acid, nonyl propyl ester. Terephthalic acid, methyl undecyl ester. Butyl octyl terephthalate. 1,4-Benzenedicarboxylic acid, decyl ethyl ester.

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