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

Phthalic acid, heptyl hex-3-yl ester

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InChI
InChI=1S/C21H32O4/c1-4-7-8-9-12-16-24-20(22)18-14-10-11-15-19(18)21(23)25-17(6-3)13-5-2/h10-11,14-15,17H,4-9,12-13,16H2,1-3H3
InChI Key
QBGNEAXWMURPTM-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCC
Molecular Weight1
348.48
Sources

Physical Properties

Property Value Unit Source
Δf -241.56 kJ/mol Joback Calculated Property
Δfgas -746.59 kJ/mol Joback Calculated Property
Δfus 45.85 kJ/mol Joback Calculated Property
Δvap 83.20 kJ/mol Joback Calculated Property
logPoct/wat 5.55 Crippen Calculated Property
Pc 1259.27 kPa Joback Calculated Property
Tboil 863.68 K Joback Calculated Property
Tc 1066.32 K Joback Calculated Property
Tfus 494.69 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 937.65 J/mol×K 863.68 Joback Calculated Property
η 0.00 Pa×s 863.68 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- 9
-CH3 3

Similar Compounds

Phthalic acid, dodecyl hex-3-yl ester. Phthalic acid, hexadecyl hex-3-yl ester. Phthalic acid, hex-3-yl undecyl ester. Phthalic acid, hex-3-yl pentadecyl ester. Phthalic acid, decyl hex-3-yl ester. Phthalic acid, hex-3-yl octyl ester. Phthalic acid, hex-3-yl nonyl ester. Phthalic acid, hex-3-yl tridecyl ester. Phthalic acid, heptyl hept-4-yl ester. Phthalic acid, dodecyl hept-4-yl ester. Phthalic acid, hept-4-yl tetradecyl ester. Phthalic acid, hept-4-yl octyl ester. Phthalic acid, hept-4-yl undecyl ester. Phthalic acid, hept-4-yl octadecyl ester. Phthalic acid, heptadecyl hept-4-yl ester.

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