Chemical Properties of Glutaric acid, but-3-yn-2-yl 4-biphenyl ester

Glutaric acid, but-3-yn-2-yl 4-biphenyl ester

InChI
InChI=1S/C21H20O4/c1-3-16(2)24-20(22)10-7-11-21(23)25-19-14-12-18(13-15-19)17-8-5-4-6-9-17/h1,4-6,8-9,12-16H,7,10-11H2,2H3
InChI Key
ZDYXZHVMCNVKPU-UHFFFAOYSA-N
Formula
C21H20O4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1ccc(-c2ccccc2)cc1
Molecular Weight1
336.38
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° 46.03 kJ/mol Joback Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
logPoct/wat 3.994 Crippen Calculated Property
McVol 265.510 ml/mol McGowan Calculated Property
Inp [2662.00; 2662.00]   Show Hide
Inp 2662.00 NIST
Inp 2662.00 NIST
Tboil 690.91 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [773.42; 837.66] J/mol×K [844.54; 1075.53] Show Hide
Cp,gas 773.42 J/mol×K 844.54 Joback Calculated Property
Cp,gas 787.47 J/mol×K 883.04 Joback Calculated Property
Cp,gas 800.11 J/mol×K 921.54 Joback Calculated Property
Cp,gas 811.39 J/mol×K 960.04 Joback Calculated Property
Cp,gas 821.37 J/mol×K 998.54 Joback Calculated Property
Cp,gas 830.11 J/mol×K 1037.03 Joback Calculated Property
Cp,gas 837.66 J/mol×K 1075.53 Joback Calculated Property

Similar Compounds

Succinic acid, but-3-yn-2-yl 4-biphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-biphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-biphenyl ester. Glutaric acid, 4-biphenyl ethyl ester. Glutaric acid, but-3-yl-2-yn 4-bromophenyl ester. Glutaric acid, 2,2-dichloroethyl 4-biphenyl ester. Glutaric acid, 4-biphenyl propyl ester. Glutaric acid, 4-biphenyl butyl ester. Glutaric acid, but-3-yn-2-yl 2-chlorophenyl ester. Adipic acid, 4-biphenyl ethyl ester. Glutaric acid, hept-2-yl 4-biphenyl ester. Glutaric acid, 4-biphenyl pentyl ester. Succinic acid, hex-4-yn-3-yl 4-biphenyl ester. Glutaric acid, 3-methylbut-2-yl 4-biphenyl ester. Glutaric acid, but-3-yn-2-yl 3-chlorophenyl ester.

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 4-biphenyl 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.