Chemical Properties of Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl ester

Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl ester

InChI
InChI=1S/C17H19FO4/c1-3-7-14(4-2)21-16(19)10-6-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,4,6,10-11H2,1-2H3
InChI Key
OEFBFBJWIXTRSM-UHFFFAOYSA-N
Formula
C17H19FO4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc(F)c1
Molecular Weight1
306.33
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
Δfus 44.85 kJ/mol Joback Calculated Property
logPoct/wat 3.246 Crippen Calculated Property
McVol 234.680 ml/mol McGowan Calculated Property
Inp [2084.00; 2084.00]   Show Hide
Inp 2084.00 NIST
Inp 2084.00 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 [653.80; 726.51] J/mol×K [744.49; 953.43] Show Hide
Cp,gas 653.80 J/mol×K 744.49 Joback Calculated Property
Cp,gas 668.65 J/mol×K 779.31 Joback Calculated Property
Cp,gas 682.39 J/mol×K 814.14 Joback Calculated Property
Cp,gas 695.03 J/mol×K 848.96 Joback Calculated Property
Cp,gas 706.58 J/mol×K 883.78 Joback Calculated Property
Cp,gas 717.07 J/mol×K 918.60 Joback Calculated Property
Cp,gas 726.51 J/mol×K 953.43 Joback Calculated Property

Similar Compounds

Succinic acid, hex-4-yn-3-yl 3-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2,3,4-trifluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 3-chlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-fluoro-2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-bromophenyl ester. Glutaric acid, hex-4-yn-3-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 1-naphthyl ester. Succinic acid, hex-4-yn-3-yl 2-fluorophenyl ester. Glutaric acid, but-3-yn-2-yl 3-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 2,5-dichlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2,4-dichlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2,3-dichlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-acetylphenyl ester.

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl 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.