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

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

InChI
InChI=1S/C20H26O4/c1-5-7-11-18(13-15(3)4)24-20(22)17-10-8-9-16(14-17)19(21)23-12-6-2/h8-10,14-15,18H,5-6,12-13H2,1-4H3
InChI Key
XEZITXFIYUGBEP-UHFFFAOYSA-N
Formula
C20H26O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCC)c1
Molecular Weight1
330.42
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Physical Properties

Property Value Unit Source
ω 0.7858 Relay (1.0) Calculated Property
ΔfusH° 42.86 kJ/mol Joback Calculated Property
log10WS -5.32 Relay (1.0) Calculated Property
logPoct/wat 4.238 Crippen Calculated Property
McVol 275.180 ml/mol McGowan Calculated Property
Pc 1533.06 kPa Joback Calculated Property
Inp [2367.00; 2367.00]   Show Hide
Inp 2367.00 NIST
Inp 2367.00 NIST
Tboil 621.29 K Relay (1.0) Calculated Property
Tc 824.42 K Relay (1.0) Calculated Property
Tfus 279.28 K Relay (1.0) Calculated Property
Vc 0.979 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 [827.13; 903.32] J/mol×K [849.36; 1066.44] Show Hide
Cp,gas 827.13 J/mol×K 849.36 Joback Calculated Property
Cp,gas 842.88 J/mol×K 885.54 Joback Calculated Property
Cp,gas 857.38 J/mol×K 921.72 Joback Calculated Property
Cp,gas 870.65 J/mol×K 957.90 Joback Calculated Property
Cp,gas 882.71 J/mol×K 994.08 Joback Calculated Property
Cp,gas 893.60 J/mol×K 1030.26 Joback Calculated Property
Cp,gas 903.32 J/mol×K 1066.44 Joback Calculated Property

Similar Compounds

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

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

Sources

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