Chemical Properties of 3-Methyl-2-butenoic acid, hex-4-yn-3-yl ester

3-Methyl-2-butenoic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C11H16O2/c1-5-7-10(6-2)13-11(12)8-9(3)4/h1,8,10H,6-7H2,2-4H3
InChI Key
YKZJFJKXQAFWBH-UHFFFAOYSA-N
Formula
C11H16O2
SMILES
C#CCC(CC)OC(=O)C=C(C)C
Molecular Weight1
180.24
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° 26.96 kJ/mol Joback Calculated Property
ΔvapH° 67.48 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.298 Crippen Calculated Property
McVol 160.390 ml/mol McGowan Calculated Property
Inp 1294.00 NIST
Tboil 487.20 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, 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 [355.88; 431.37] J/mol×K [503.22; 697.39] Show Hide
Cp,gas 355.88 J/mol×K 503.22 Joback Calculated Property
Cp,gas 370.24 J/mol×K 535.58 Joback Calculated Property
Cp,gas 383.85 J/mol×K 567.94 Joback Calculated Property
Cp,gas 396.75 J/mol×K 600.31 Joback Calculated Property
Cp,gas 408.95 J/mol×K 632.67 Joback Calculated Property
Cp,gas 420.48 J/mol×K 665.03 Joback Calculated Property
Cp,gas 431.37 J/mol×K 697.39 Joback Calculated Property

Similar Compounds

3-Methyl-2-butenoic acid, 2-pentyl ester. Glutaric acid, 3-methylbut-2-en-1-yl non-5-yn-3-yl ester. 2-Heptenoic acid, hex-4-yn-3-yl ester. 3-Methyl-2-butenoic acid, 2-methyloct-5-yn-4-yl ester. Sec-butylcrotonate. 2-Butenoic acid, 1-methylpropyl ester, (E)-. Succinic acid, di(non-5-yn-3-yl) ester. Glutaric acid, di(non-5-yn-3-yl) ester. Fumaric acid, 4-octyl hex-4-yn-3-yl ester. Succinic acid, 3-methylbut-2-enyl 3-pentyl ester. Hexan-3-yl (E)-2-methylbut-2-enoate. 3-Methylbut-2-enoic acid, 3-methylbut-2-yl ester. Glutaric acid, non-5-yn-3-yl propyl ester. Fumaric acid, 2-octyl hex-4-yn-3-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl hex-4-yn-3-yl ester.

Find more compounds similar to 3-Methyl-2-butenoic acid, 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.
These property values are available through the Cheméo API. A free account gives you an access key.