Chemical Properties of 3-Cyclopentylpropionic acid, but-3-yn-2-yl ester

3-Cyclopentylpropionic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C12H18O2/c1-3-10(2)14-12(13)9-8-11-6-4-5-7-11/h1,10-11H,4-9H2,2H3
InChI Key
WEHCCFDMIBZMBC-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
C#CC(C)OC(=O)CCC1CCCC1
Molecular Weight1
194.27
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° 24.59 kJ/mol Joback Calculated Property
logPoct/wat 2.522 Crippen Calculated Property
McVol 167.920 ml/mol McGowan Calculated Property
Inp [1367.10; 1367.10]   Show Hide
Inp 1367.10 NIST
Inp 1367.10 NIST
Tboil 500.39 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [231.66; 572.68] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.09980e+01
Coefficient B1.13272e+00
Coefficient C-6.60930e-04
Coefficient D1.31890e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 231.66 J/mol×K 273.00 Calculated Property
Cp,gas 292.85 J/mol×K 353.78 Calculated Property
Cp,gas 347.25 J/mol×K 434.56 Calculated Property
Cp,gas 395.26 J/mol×K 515.33 Calculated Property
Cp,gas 437.31 J/mol×K 596.11 Calculated Property
Cp,gas 473.81 J/mol×K 676.89 Calculated Property
Cp,gas 505.18 J/mol×K 757.67 Calculated Property
Cp,gas 531.84 J/mol×K 838.44 Calculated Property
Cp,gas 554.20 J/mol×K 919.22 Calculated Property
Cp,gas 572.68 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, di(but-3-yn-2-yl) ester. Sebacic acid, but-3-yn-2-yl isohexyl ester. Octanoic acid, but-3-yn-2-yl ester. Glutaric acid, 2-(adamant-1-yl)ethyl but-3-yn-2-yl ester. Hexanoic acid, but-3-yn-2-yl ester. Glutaric acid, 2-(cyclohexyl)ethyl but-3-yn-2-yl ester. Hexanoic acid, 3,5,5-trimethyl-, but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester. 3-Cyclopentylpropionic acid, hex-4-yn-3-yl ester. Glutaric acid, but-3-yn-2-yl isohexyl ester. 3-Cyclopentylpropionic acid, ethyl ester. Undec-10-ynoic acid, but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl propyl ester. Glutaric acid, cyclohexylmethyl but-3-yn-2-yl ester. Heptanoic acid, 4-methyl-, ethyl ester.

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