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

Phthalic acid, heptyl oct-3-yl ester

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InChI
InChI=1S/C23H36O4/c1-4-7-9-10-14-18-26-22(24)20-16-12-13-17-21(20)23(25)27-19(6-3)15-11-8-5-2/h12-13,16-17,19H,4-11,14-15,18H2,1-3H3
InChI Key
OQECXDICBTVQLG-UHFFFAOYSA-N
Formula
C23H36O4
SMILES
CCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCCCC
Molecular Weight1
376.53
Sources

Physical Properties

Property Value Unit Source
Δf -224.72 kJ/mol Joback Calculated Property
Δfgas -787.87 kJ/mol Joback Calculated Property
Δfus 51.03 kJ/mol Joback Calculated Property
Δvap 87.65 kJ/mol Joback Calculated Property
logPoct/wat 6.33 Crippen Calculated Property
Pc 1103.74 kPa Joback Calculated Property
Tboil 909.44 K Joback Calculated Property
Tc 1116.16 K Joback Calculated Property
Tfus 517.23 K Joback Calculated Property
Vc 1.26 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1058.53 J/mol×K 909.44 Joback Calculated Property
η 0.00 Pa×s 909.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
-CH3 3

Similar Compounds

Phthalic acid, nonyl oct-3-yl ester. Phthalic acid, oct-3-yl undecyl ester. Phthalic acid, dodecyl oct-3-yl ester. Phthalic acid, decyl oct-3-yl ester. Phthalic acid, octyl oct-3-yl ester. Phthalic acid, hept-3-yl octyl ester. Phthalic acid, di(oct-3-yl) ester. Phthalic acid, hept-3-yl nonyl ester. Phthalic acid, hept-3-yl undecyl ester. Phthalic acid, decyl hept-3-yl ester. Phthalic acid, dodecyl hept-3-yl ester. Phthalic acid, hept-3-yl tridecyl ester. Phthalic acid, ethyl oct-3-yl ester. Phthalic acid, hexyl oct-3-yl ester. Phthalic acid, butyl oct-3-yl ester.

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