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
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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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [407.29; 500.60] J/mol×K [537.34; 745.06] Show Hide
Cp,gas 407.29 J/mol×K 537.34 Joback Calculated Property
Cp,gas 425.34 J/mol×K 571.96 Joback Calculated Property
Cp,gas 442.34 J/mol×K 606.58 Joback Calculated Property
Cp,gas 458.34 J/mol×K 641.20 Joback Calculated Property
Cp,gas 473.36 J/mol×K 675.82 Joback Calculated Property
Cp,gas 487.44 J/mol×K 710.44 Joback Calculated Property
Cp,gas 500.60 J/mol×K 745.06 Joback 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

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