Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl isopropyl ester

Glutaric acid, 3-methylbut-2-en-1-yl isopropyl ester

InChI
InChI=1S/C13H22O4/c1-10(2)8-9-16-12(14)6-5-7-13(15)17-11(3)4/h8,11H,5-7,9H2,1-4H3
InChI Key
PMRZJYITKIZRAP-UHFFFAOYSA-N
Formula
C13H22O4
SMILES
CC(C)=CCOC(=O)CCCC(=O)OC(C)C
Molecular Weight1
242.31
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 -858.28 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.53 kJ/mol Joback Calculated Property
ΔvapH° 74.54 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.618 Crippen Calculated Property
McVol 204.610 ml/mol McGowan Calculated Property
Inp [1586.00; 1586.00]   Show Hide
Inp 1586.00 NIST
Inp 1586.00 NIST
Tboil 531.03 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [535.25; 616.91] J/mol×K [617.08; 800.04] Show Hide
Cp,gas 535.25 J/mol×K 617.08 Joback Calculated Property
Cp,gas 550.82 J/mol×K 647.57 Joback Calculated Property
Cp,gas 565.59 J/mol×K 678.07 Joback Calculated Property
Cp,gas 579.58 J/mol×K 708.56 Joback Calculated Property
Cp,gas 592.78 J/mol×K 739.05 Joback Calculated Property
Cp,gas 605.22 J/mol×K 769.55 Joback Calculated Property
Cp,gas 616.91 J/mol×K 800.04 Joback Calculated Property

Similar Compounds

Glutaric acid, ethyl 3-methylbut-2-enyl ester. Glutaric acid, di(3-methylbut-2-enyl) ester. Glutaric acid, 3-methylbut-2-en-1-yl but-3-yn-2-yl ester. Glutaric acid, but-3-en-2-yl 3-methylbut-2-en-1-yl ester. Glutaric acid, 3-methylbut-2-enyl propyl ester. valeric acid, 3-methylbut-2-enyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoroethyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, butyl 3-methylbut-2-enyl ester. Hexanoic acid, 3-methyl-2-butenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,2-dichloroethyl ester. Glutaric acid, isobutyl 3-methylbut-2-enyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-methylbut-2-yl ester. Sebacic acid, di(3-methylbut-2-enyl) ester. Octanoic acid, 3-methylbut-2-enyl ester.

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl isopropyl 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.