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

Phthalic acid, oct-3-yl pentyl ester

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InChI
InChI=1S/C21H32O4/c1-4-7-9-13-17(6-3)25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-8-5-2/h10-11,14-15,17H,4-9,12-13,16H2,1-3H3
InChI Key
PRIMUJPRYVWBOQ-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCCCC
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, ethyl oct-3-yl ester. 1,2-Benzenedicarboxylic acid bis-(1-ethylhexyl) ester. Phthalic acid, di(oct-3-yl) ester. Phthalic acid, butyl 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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