Chemical Properties of Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester

Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester

InChI
InChI=1S/C22H28O4/c1-6-9-17(5)20(13-12-16(3)4)26-22(24)19-11-8-10-18(15-19)21(23)25-14-7-2/h8,10-11,15,17,20H,3,6-7,9,14H2,1-2,4-5H3
InChI Key
SMWWKDTVJDRBJN-UHFFFAOYSA-N
Formula
C22H28O4
SMILES
C=C(C)C#CC(OC(=O)c1cccc(C(=O)OCCC)c1)C(C)CCC
Molecular Weight1
356.46
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 45.45 kJ/mol Joback Calculated Property
log10WS -5.67 Relay (1.0) Calculated Property
logPoct/wat 4.795 Crippen Calculated Property
McVol 299.060 ml/mol McGowan Calculated Property
Pc 1372.76 kPa Joback Calculated Property
Inp [2482.00; 2482.00]   Show Hide
Inp 2482.00 NIST
Inp 2482.00 NIST
Tboil 639.67 K Relay (1.0) Calculated Property
Tfus 289.18 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [916.37; 991.60] J/mol×K [891.68; 1111.16] Show Hide
Cp,gas 916.37 J/mol×K 891.68 Joback Calculated Property
Cp,gas 932.01 J/mol×K 928.26 Joback Calculated Property
Cp,gas 946.36 J/mol×K 964.84 Joback Calculated Property
Cp,gas 959.46 J/mol×K 1001.42 Joback Calculated Property
Cp,gas 971.34 J/mol×K 1038.00 Joback Calculated Property
Cp,gas 982.05 J/mol×K 1074.58 Joback Calculated Property
Cp,gas 991.60 J/mol×K 1111.16 Joback Calculated Property

Similar Compounds

Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl hexyl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-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 heptyl ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester. 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.