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

Cyclobutanecarboxylic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C14H22O2/c1-4-5-9-13(10-11(2)3)16-14(15)12-7-6-8-12/h11-13H,4,6-8,10H2,1-3H3
InChI Key
RVJZQJXADXKDGY-UHFFFAOYSA-N
Formula
C14H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)C1CCC1
Molecular Weight1
222.32
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Physical Properties

Property Value Unit Source
ΔfusH° 28.50 kJ/mol Joback Calculated Property
logPoct/wat 3.158 Crippen Calculated Property
McVol 196.100 ml/mol McGowan Calculated Property
Inp 1460.00 NIST
Tboil 509.62 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 [272.95; 671.18] 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-2.55980e+01
Coefficient B1.28236e+00
Coefficient C-7.31260e-04
Coefficient D1.45680e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 272.95 J/mol×K 273.00 Calculated Property
Cp,gas 343.00 J/mol×K 353.78 Calculated Property
Cp,gas 405.52 J/mol×K 434.56 Calculated Property
Cp,gas 460.98 J/mol×K 515.33 Calculated Property
Cp,gas 509.84 J/mol×K 596.11 Calculated Property
Cp,gas 552.55 J/mol×K 676.89 Calculated Property
Cp,gas 589.58 J/mol×K 757.67 Calculated Property
Cp,gas 621.39 J/mol×K 838.44 Calculated Property
Cp,gas 648.44 J/mol×K 919.22 Calculated Property
Cp,gas 671.18 J/mol×K 1000.00 Calculated Property

Similar Compounds

valeric acid, 2-methyloct-5-yn-4-yl ester. Cyclobutanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Cyclopropanecarboxylic acid, 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, isobutyl 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. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester.

Find more compounds similar to Cyclobutanecarboxylic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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