Chemical Properties of 3-cyclopentylpropionic acid, 3-methylbut-2-enyl ester

3-cyclopentylpropionic acid, 3-methylbut-2-enyl ester

InChI
InChI=1S/C13H22O2/c1-11(2)9-10-15-13(14)8-7-12-5-3-4-6-12/h9,12H,3-8,10H2,1-2H3
InChI Key
YSICNKUSJOTUON-UHFFFAOYSA-N
Formula
C13H22O2
SMILES
CC(C)=CCOC(=O)CCC1CCCC1
Molecular Weight1
210.32
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Physical Properties

Property Value Unit Source
ΔfusH° 26.62 kJ/mol Joback Calculated Property
logPoct/wat 3.466 Crippen Calculated Property
McVol 186.310 ml/mol McGowan Calculated Property
Inp [1549.00; 1549.00]   Show Hide
Inp 1549.00 NIST
Inp 1549.00 NIST
Tboil 542.66 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 [250.52; 650.56] 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-5.78770e+01
Coefficient B1.33564e+00
Coefficient C-8.02300e-04
Coefficient D1.75100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 250.52 J/mol×K 273.00 Calculated Property
Cp,gas 321.98 J/mol×K 353.78 Calculated Property
Cp,gas 385.40 J/mol×K 434.56 Calculated Property
Cp,gas 441.32 J/mol×K 515.33 Calculated Property
Cp,gas 490.31 J/mol×K 596.11 Calculated Property
Cp,gas 532.91 J/mol×K 676.89 Calculated Property
Cp,gas 569.68 J/mol×K 757.67 Calculated Property
Cp,gas 601.18 J/mol×K 838.44 Calculated Property
Cp,gas 627.96 J/mol×K 919.22 Calculated Property
Cp,gas 650.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, di(3-methylbut-2-enyl) ester. Sebacic acid, isohexyl 3-methylbut-2-enyl ester. Octanoic acid, 3-methylbut-2-enyl ester. Hexanoic acid, 3-methyl-2-butenyl ester. Glutaric acid, 2-(cyclohexyl)ethyl 3-methylbut-2-en-1-yl ester. Glutaric acid, 2-(adamant-1-yl)ethyl 3-methylbut-2-en-1-yl ester. Hexanoic acid, 3,5,5-trimethyl-, 3-methylbut-2-en-1-yl ester. Sebacic acid, 3-methylbut-2-enyl propyl ester. Glutaric acid, isohexyl 3-methylbut-2-enyl ester. Phytyl tetradecanoate. Phytyl decanoate. Phytyl stearate. [R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl palmitate. Phytyl dodecanoate. 3-Cyclopentylpropionic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to 3-cyclopentylpropionic acid, 3-methylbut-2-enyl ester.

Sources

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