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

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

InChI
InChI=1S/C15H20O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h2,12-13H,7-8,10-11H2,1,3-4H3
InChI Key
RMQGRIRMTUSBHJ-UHFFFAOYSA-N
Formula
C15H20O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OC(C#CC)CC
Molecular Weight1
264.32
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 -500.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.23 kJ/mol Joback Calculated Property
ΔvapH° 80.35 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.067 Crippen Calculated Property
McVol 219.890 ml/mol McGowan Calculated Property
Inp [1726.00; 1726.00]   Show Hide
Inp 1726.00 NIST
Inp 1726.00 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 [585.46; 663.19] J/mol×K [693.42; 899.12] Show Hide
Cp,gas 585.46 J/mol×K 693.42 Joback Calculated Property
Cp,gas 600.53 J/mol×K 727.70 Joback Calculated Property
Cp,gas 614.74 J/mol×K 761.99 Joback Calculated Property
Cp,gas 628.10 J/mol×K 796.27 Joback Calculated Property
Cp,gas 640.63 J/mol×K 830.55 Joback Calculated Property
Cp,gas 652.32 J/mol×K 864.83 Joback Calculated Property
Cp,gas 663.19 J/mol×K 899.12 Joback Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl isopropyl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. Glutaric acid, ethyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. valeric acid, hex-4-yn-3-yl ester. Butanoic acid, hex-4-yn-3-yl ester. Hexanoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 1,1,1-trifluoroprop-2-yl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Octanoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl neopentyl ester. 4-Bromobutanoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl isobutyl ester.

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