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

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

InChI
InChI=1S/C23H32O4/c1-6-7-13-21(15-18(4)5)27-23(25)20-12-8-11-19(16-20)22(24)26-14-9-10-17(2)3/h8,11-12,16-18,21H,6,9-10,14-15H2,1-5H3
InChI Key
JWYWZFZLXFGIHQ-UHFFFAOYSA-N
Formula
C23H32O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
372.50
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Physical Properties

Property Value Unit Source
ω 0.8703 Relay (1.0) Calculated Property
ΔfusH° 50.27 kJ/mol Joback Calculated Property
log10WS -6.23 Relay (1.0) Calculated Property
logPoct/wat 5.264 Crippen Calculated Property
McVol 317.450 ml/mol McGowan Calculated Property
Pc 1176.05 kPa Joback Calculated Property
Inp [2616.00; 2616.00]   Show Hide
Inp 2616.00 NIST
Inp 2616.00 NIST
Tboil 640.37 K Relay (1.0) Calculated Property
Tc 860.31 K Relay (1.0) Calculated Property
Tfus 281.72 K Relay (1.0) Calculated Property
Vc 1.135 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 [992.05; 1069.28] J/mol×K [881.62; 1094.61] Show Hide
Cp,gas 992.05 J/mol×K 881.62 Joback Calculated Property
Cp,gas 1008.41 J/mol×K 917.12 Joback Calculated Property
Cp,gas 1023.33 J/mol×K 952.62 Joback Calculated Property
Cp,gas 1036.85 J/mol×K 988.11 Joback Calculated Property
Cp,gas 1048.99 J/mol×K 1023.61 Joback Calculated Property
Cp,gas 1059.79 J/mol×K 1059.11 Joback Calculated Property
Cp,gas 1069.28 J/mol×K 1094.61 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester. Isophthalic acid, heptyl 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 isohexyl 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 hexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl 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, isohexyl 2-methyloct-5-yn-4-yl ester.

Sources

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