Chemical Properties of m-Toluic acid, 2-methyloct-5-yn-4-yl ester

m-Toluic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C17H22O2/c1-5-6-10-16(11-13(2)3)19-17(18)15-9-7-8-14(4)12-15/h7-9,12-13,16H,5,11H2,1-4H3
InChI Key
DKRVMIVDFAYXSX-UHFFFAOYSA-N
Formula
C17H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C)c1
Molecular Weight1
258.36
Other Names
  • m-toluylic acid, 2-methyloct-5-yn-4-yl ester
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° 32.30 kJ/mol Joback Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
logPoct/wat 3.980 Crippen Calculated Property
McVol 225.470 ml/mol McGowan Calculated Property
Inp [1848.10; 1848.10]   Show Hide
Inp 1848.10 NIST
Inp 1848.10 NIST
Tboil 570.98 K Relay (1.0) Calculated Property
Tfus 266.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [610.91; 700.21] J/mol×K [704.43; 925.13] Show Hide
Cp,gas 610.91 J/mol×K 704.43 Joback Calculated Property
Cp,gas 628.49 J/mol×K 741.21 Joback Calculated Property
Cp,gas 644.95 J/mol×K 778.00 Joback Calculated Property
Cp,gas 660.32 J/mol×K 814.78 Joback Calculated Property
Cp,gas 674.63 J/mol×K 851.56 Joback Calculated Property
Cp,gas 687.92 J/mol×K 888.35 Joback Calculated Property
Cp,gas 700.21 J/mol×K 925.13 Joback Calculated Property

Similar Compounds

Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. o-Toluic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 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, hexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester.

Find more compounds similar to m-Toluic acid, 2-methyloct-5-yn-4-yl 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.