Chemical Properties of Benzeneacetic acid, 4-chloro-, hex-4-yn-3-yl ester

Benzeneacetic acid, 4-chloro-, hex-4-yn-3-yl ester

InChI
InChI=1S/C14H15ClO2/c1-3-5-13(4-2)17-14(16)10-11-6-8-12(15)9-7-11/h6-9,13H,4,10H2,1-2H3
InChI Key
XFDDAQZNPQCVJV-UHFFFAOYSA-N
Formula
C14H15ClO2
SMILES
CC#CC(CC)OC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
250.72
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° 33.83 kJ/mol Joback Calculated Property
logPoct/wat 3.228 Crippen Calculated Property
McVol 195.440 ml/mol McGowan Calculated Property
Inp [1801.00; 1801.00]   Show Hide
Inp 1801.00 NIST
Inp 1801.00 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, 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 [475.48; 550.85] J/mol×K [655.79; 885.51] Show Hide
Cp,gas 475.48 J/mol×K 655.79 Joback Calculated Property
Cp,gas 490.58 J/mol×K 694.08 Joback Calculated Property
Cp,gas 504.62 J/mol×K 732.36 Joback Calculated Property
Cp,gas 517.64 J/mol×K 770.65 Joback Calculated Property
Cp,gas 529.67 J/mol×K 808.94 Joback Calculated Property
Cp,gas 540.73 J/mol×K 847.23 Joback Calculated Property
Cp,gas 550.85 J/mol×K 885.51 Joback Calculated Property

Similar Compounds

Phenylacetic acid, hex-4-yn-3-yl ester. Benzeneacetic acid, 4-chloro-, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-nitro-, hex-4-yn-3-yl ester. Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-chloro-, tridec-2-yn-1-yl ester. Phenylacetic acid, 4-chloro-, butyl ester. Hydratropic acid, hex-4-yn-3-yl ester. Phenylacetic acid, 4-chloro-, octyl ester. Phenylacetic acid, 4-chloro-, tetradecyl ester. Phenylacetic acid, 4-chloro-, undecyl ester. Phenylacetic acid, 4-chloro-, pentadecyl ester. Phenylacetic acid, 4-chloro-, nonyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester.

Find more compounds similar to Benzeneacetic acid, 4-chloro-, hex-4-yn-3-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.