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

m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C19H24O2/c1-6-8-16(5)18(12-11-14(2)3)21-19(20)17-10-7-9-15(4)13-17/h7,9-10,13,16,18H,2,6,8H2,1,3-5H3
InChI Key
FPLHZSOEGPVHMS-UHFFFAOYSA-N
Formula
C19H24O2
SMILES
C=C(C)C#CC(OC(=O)c1cccc(C)c1)C(C)CCC
Molecular Weight1
284.40
Other Names
  • m-toluylic acid, 2,6-dimethylnon-1-en-3-yn-5-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° 34.89 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
logPoct/wat 4.536 Crippen Calculated Property
McVol 249.350 ml/mol McGowan Calculated Property
Inp 1962.40 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [696.60; 786.60] J/mol×K [746.75; 967.62] Show Hide
Cp,gas 696.60 J/mol×K 746.75 Joback Calculated Property
Cp,gas 714.39 J/mol×K 783.56 Joback Calculated Property
Cp,gas 731.01 J/mol×K 820.37 Joback Calculated Property
Cp,gas 746.49 J/mol×K 857.19 Joback Calculated Property
Cp,gas 760.89 J/mol×K 894.00 Joback Calculated Property
Cp,gas 774.24 J/mol×K 930.81 Joback Calculated Property
Cp,gas 786.60 J/mol×K 967.62 Joback Calculated Property

Similar Compounds

Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. o-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, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-(Ttifluoromethyl)benzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-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.
These property values are available through the Cheméo API. A free account gives you an access key.