Chemical Properties of 3-cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester

3-cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C17H28O2/c1-4-5-10-16(13-14(2)3)19-17(18)12-11-15-8-6-7-9-15/h14-16H,4,6-9,11-13H2,1-3H3
InChI Key
AJIYNFIZBQJLGY-UHFFFAOYSA-N
Formula
C17H28O2
SMILES
CCC#CC(CC(C)C)OC(=O)CCC1CCCC1
Molecular Weight1
264.41
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° 32.58 kJ/mol Joback Calculated Property
logPoct/wat 4.328 Crippen Calculated Property
McVol 238.370 ml/mol McGowan Calculated Property
Inp 1787.20 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 [683.06; 788.53] J/mol×K [688.05; 895.84] Show Hide
Cp,gas 683.06 J/mol×K 688.05 Joback Calculated Property
Cp,gas 703.51 J/mol×K 722.68 Joback Calculated Property
Cp,gas 722.76 J/mol×K 757.31 Joback Calculated Property
Cp,gas 740.86 J/mol×K 791.94 Joback Calculated Property
Cp,gas 757.83 J/mol×K 826.57 Joback Calculated Property
Cp,gas 773.71 J/mol×K 861.20 Joback Calculated Property
Cp,gas 788.53 J/mol×K 895.84 Joback Calculated Property

Similar Compounds

Octanoic acid, 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, butyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. valeric acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester. Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester. Sebacic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl octyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentadecyl ester.

Find more compounds similar to 3-cyclopentylpropionic 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.