Chemical Properties of 4-Cyanobenzoic acid, pent-2-en-4-ynyl ester

4-Cyanobenzoic acid, pent-2-en-4-ynyl ester

InChI
InChI=1S/C13H9NO2/c1-2-3-4-9-16-13(15)12-7-5-11(10-14)6-8-12/h1,3-8H,9H2/b4-3-
InChI Key
VUYBUXDCYOZSDM-ARJAWSKDSA-N
Formula
C13H9NO2
SMILES
C#CC=CCOC(=O)c1ccc(C#N)cc1
Molecular Weight1
211.22
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° 32.13 kJ/mol Joback Calculated Property
IE 9.64 eV Relay (1.0) Calculated Property
logPoct/wat 1.904 Crippen Calculated Property
McVol 166.190 ml/mol McGowan Calculated Property
Inp [1735.00; 1735.00]   Show Hide
Inp 1735.00 NIST
Inp 1735.00 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, 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 [398.68; 452.46] J/mol×K [683.28; 921.20] Show Hide
Cp,gas 398.68 J/mol×K 683.28 Joback Calculated Property
Cp,gas 409.70 J/mol×K 722.93 Joback Calculated Property
Cp,gas 419.81 J/mol×K 762.59 Joback Calculated Property
Cp,gas 429.09 J/mol×K 802.24 Joback Calculated Property
Cp,gas 437.59 J/mol×K 841.89 Joback Calculated Property
Cp,gas 445.36 J/mol×K 881.54 Joback Calculated Property
Cp,gas 452.46 J/mol×K 921.20 Joback Calculated Property

Similar Compounds

4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl ester. 4-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 4-Bromobenzoic acid, pent-2-en-4-ynyl ester. 4-Chlorobenzoic acid, pent-2-en-4-ynyl ester. Terephthalic acid, di(but-2-enyl) ester. 4-Cyanobenzoic acid, 3-chloroprop-2-enyl ester. (E)-2-Butenyl benzoate. 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 3-Bromobenzoic acid, pent-2-en-4-ynyl ester. 4-Cyanobenzoic acid, 3-methyl-2-enyl ester. 1-Naphthoic acid, pent-2-en-4-ynyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 4-Nitrobenzoic acid, pent-2-en-4-ynyl ester. 3-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester. p-Anisic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, pent-2-en-4-ynyl 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.