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

Phthalic acid, heptyl hept-3-yl ester

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InChI
InChI=1S/C22H34O4/c1-4-7-9-10-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18(6-3)14-8-5-2/h11-12,15-16,18H,4-10,13-14,17H2,1-3H3
InChI Key
LQAQFECRFDVUAQ-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCCC
Molecular Weight1
362.50
Sources

Physical Properties

Property Value Unit Source
Δf -233.14 kJ/mol Joback Calculated Property
Δfgas -767.23 kJ/mol Joback Calculated Property
Δfus 48.44 kJ/mol Joback Calculated Property
Δvap 85.43 kJ/mol Joback Calculated Property
logPoct/wat 5.94 Crippen Calculated Property
Pc 1177.66 kPa Joback Calculated Property
Tboil 886.56 K Joback Calculated Property
Tc 1090.83 K Joback Calculated Property
Tfus 505.96 K Joback Calculated Property
Vc 1.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 997.77 J/mol×K 886.56 Joback Calculated Property
η 0.00 Pa×s 886.56 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
>C=O (nonring) 2

Similar Compounds

Phthalic acid, hept-3-yl octyl ester. Phthalic acid, hept-3-yl tetradecyl ester. Phthalic acid, hept-3-yl nonyl ester. Phthalic acid, hept-3-yl undecyl ester. Phthalic acid, dodecyl hept-3-yl ester. Phthalic acid, decyl hept-3-yl ester. Phthalic acid, hept-3-yl pentadecyl ester. Phthalic acid, hept-3-yl tridecyl ester. Phthalic acid, hept-3-yl hexyl ester. Phthalic acid, heptyl hept-4-yl ester. Phthalic acid, dodecyl oct-3-yl ester. Phthalic acid, heptyl oct-3-yl ester. Phthalic acid, oct-3-yl undecyl ester. Phthalic acid, octyl oct-3-yl ester. Phthalic acid, nonyl oct-3-yl ester.

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