Chemical Properties of 2-Heptenoic acid, 2-methyloct-5-yn-4-yl ester

2-Heptenoic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C16H26O2/c1-5-7-9-10-12-16(17)18-15(11-8-6-2)13-14(3)4/h10,12,14-15H,5-7,9,13H2,1-4H3
InChI Key
PKSRBOICWULCPD-ZRDIBKRKSA-N
Formula
C16H26O2
SMILES
CCC#CC(CC(C)C)OC(=O)/C=C/CCCC
Molecular Weight1
250.38
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° 36.26 kJ/mol Joback Calculated Property
logPoct/wat 4.104 Crippen Calculated Property
McVol 230.840 ml/mol McGowan Calculated Property
Inp [2106.00; 2106.00]   Show Hide
Inp 2106.00 NIST
Inp 2106.00 NIST
Tboil 517.21 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, 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 [614.61; 707.92] J/mol×K [654.05; 848.40] Show Hide
Cp,gas 614.61 J/mol×K 654.05 Joback Calculated Property
Cp,gas 632.30 J/mol×K 686.44 Joback Calculated Property
Cp,gas 649.09 J/mol×K 718.83 Joback Calculated Property
Cp,gas 665.02 J/mol×K 751.22 Joback Calculated Property
Cp,gas 680.12 J/mol×K 783.61 Joback Calculated Property
Cp,gas 694.41 J/mol×K 816.01 Joback Calculated Property
Cp,gas 707.92 J/mol×K 848.40 Joback Calculated Property

Similar Compounds

2-Heptenoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Oct-3-enoic acid, 2-methyloct-5-yn-4-yl ester. 2-Heptenoic acid, 4-methyl-2-pentyl ester. Oct-3-enoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. 3-Methyl-2-butenoic acid, 2-methyloct-5-yn-4-yl ester. 2-Heptenoic acid, hex-4-yn-3-yl ester. 3-Methyl-2-butenoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, dodec-2-en-1-yl 4-methylpent-2-yl ester. Glutaric acid, 3,4-dimethylcyclohexyl dodec-2-en-1-yl ester. Ethynodiol diacetate. Succinic acid, dodec-2-en-1-yl 4-methylpent-2-yl ester. Glutaric acid, 1-cyclopentylethyl dodec-2-en-1-yl ester. 3-Octenoic acid, 4-methyl-2-pentyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, myrtenyl 2-methylpent-3-yl ester.

Find more compounds similar to 2-Heptenoic acid, 2-methyloct-5-yn-4-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.