Chemical Properties of Phthalic acid, butyl oct-3-yl ester

Phthalic acid, butyl oct-3-yl ester

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InChI
InChI=1S/C20H30O4/c1-4-7-9-12-16(6-3)24-20(22)18-14-11-10-13-17(18)19(21)23-15-8-5-2/h10-11,13-14,16H,4-9,12,15H2,1-3H3
InChI Key
WGGPIODSUQZNTP-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCCCCC(CC)OC(=O)c1ccccc1C(=O)OCCCC
Molecular Weight1
334.45
Sources

Physical Properties

Property Value Unit Source
Δf -249.98 kJ/mol Joback Calculated Property
Δfgas -725.95 kJ/mol Joback Calculated Property
Δfus 43.26 kJ/mol Joback Calculated Property
Δvap 80.98 kJ/mol Joback Calculated Property
logPoct/wat 5.16 Crippen Calculated Property
Pc 1349.66 kPa Joback Calculated Property
Tboil 840.80 K Joback Calculated Property
Tc 1042.55 K Joback Calculated Property
Tfus 483.42 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 878.24 J/mol×K 840.8 Joback Calculated Property
η 0.00 Pa×s 840.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 8
>C=O (nonring) 2

Similar Compounds

Phthalic acid, oct-3-yl pentyl ester. Phthalic acid, ethyl oct-3-yl ester. 1,2-Benzenedicarboxylic acid bis-(1-ethylhexyl) ester. Phthalic acid, di(oct-3-yl) ester. Phthalic acid, hexyl oct-3-yl ester. Phthalic acid, octyl oct-3-yl ester. Phthalic acid, oct-3-yl undecyl ester. Phthalic acid, heptyl oct-3-yl ester. Phthalic acid, nonyl oct-3-yl ester. Phthalic acid, decyl oct-3-yl ester. Phthalic acid, dodecyl oct-3-yl ester. Phthalic acid, hept-3-yl hexyl ester. Phthalic acid, dodecyl hept-3-yl ester. Phthalic acid, hept-3-yl octyl ester. Phthalic acid, hept-3-yl tridecyl ester.

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