Chemical Properties of Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester

Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C23H32O4/c1-5-7-9-10-15-26-22(24)19-12-11-13-20(17-19)23(25)27-21(14-8-6-2)16-18(3)4/h11-13,17-18,21H,5-7,9-10,15-16H2,1-4H3
InChI Key
UKAURQDLOZPEKG-UHFFFAOYSA-N
Formula
C23H32O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCCCC)c1
Molecular Weight1
372.50
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Physical Properties

Property Value Unit Source
ω 0.9076 Relay (1.0) Calculated Property
ΔfusH° 50.63 kJ/mol Joback Calculated Property
log10WS -6.30 Relay (1.0) Calculated Property
logPoct/wat 5.409 Crippen Calculated Property
McVol 317.450 ml/mol McGowan Calculated Property
Pc 1238.09 kPa Joback Calculated Property
Inp [2664.00; 2664.00]   Show Hide
Inp 2664.00 NIST
Inp 2664.00 NIST
Tboil 642.59 K Relay (1.0) Calculated Property
Tc 855.47 K Relay (1.0) Calculated Property
Tfus 280.77 K Relay (1.0) Calculated Property
Vc 1.140 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1004.93; 1081.15] J/mol×K [918.00; 1134.16] Show Hide
Cp,gas 1004.93 J/mol×K 918.00 Joback Calculated Property
Cp,gas 1020.91 J/mol×K 954.03 Joback Calculated Property
Cp,gas 1035.54 J/mol×K 990.05 Joback Calculated Property
Cp,gas 1048.85 J/mol×K 1026.08 Joback Calculated Property
Cp,gas 1060.86 J/mol×K 1062.11 Joback Calculated Property
Cp,gas 1071.62 J/mol×K 1098.13 Joback Calculated Property
Cp,gas 1081.15 J/mol×K 1134.16 Joback Calculated Property

Similar Compounds

Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl hexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl ester.

Find more compounds similar to Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester.

Sources

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