Chemical Properties of Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C12H15Cl3O2/c1-8(2)5-6-10(7-9(3)4)17-11(16)12(13,14)15/h9-10H,1,7H2,2-4H3
InChI Key
XXRBSODQKFUODU-UHFFFAOYSA-N
Formula
C12H15Cl3O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)C(Cl)(Cl)Cl
Molecular Weight1
297.61
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
ΔfH°gas -267.26 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.87 kJ/mol Joback Calculated Property
ΔvapH° 69.85 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.894 Crippen Calculated Property
McVol 211.200 ml/mol McGowan Calculated Property
Inp [1545.00; 1545.00]   Show Hide
Inp 1545.00 NIST
Inp 1545.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [489.99; 557.97] J/mol×K [646.12; 871.87] Show Hide
Cp,gas 489.99 J/mol×K 646.12 Joback Calculated Property
Cp,gas 503.67 J/mol×K 683.75 Joback Calculated Property
Cp,gas 516.33 J/mol×K 721.37 Joback Calculated Property
Cp,gas 528.04 J/mol×K 759.00 Joback Calculated Property
Cp,gas 538.85 J/mol×K 796.62 Joback Calculated Property
Cp,gas 548.81 J/mol×K 834.25 Joback Calculated Property
Cp,gas 557.97 J/mol×K 871.87 Joback Calculated Property

Similar Compounds

Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl. 2,2-Dimethylpropanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Acetoxyacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Methyl-2-butenoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Cloropropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. Dichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Cyclopropanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to Trichloroacetic acid, 2,7-dimethyloct-7-en-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.
These property values are available through the Cheméo API. A free account gives you an access key.