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

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

InChI
InChI=1S/C10H14O2/c1-3-5-8(2)12-10(11)9-6-4-7-9/h8-9H,4,6-7H2,1-2H3
InChI Key
MRQLUWIUYAYLSZ-UHFFFAOYSA-N
Formula
C10H14O2
SMILES
CC#CC(C)OC(=O)C1CCC1
Molecular Weight1
166.22
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Physical Properties

Property Value Unit Source
ΔfusH° 21.66 kJ/mol Joback Calculated Property
logPoct/wat 1.742 Crippen Calculated Property
McVol 139.740 ml/mol McGowan Calculated Property
Tboil 453.17 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 [188.41; 464.28] 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-2.02800e+01
Coefficient B8.96440e-01
Coefficient C-5.10460e-04
Coefficient D9.85800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 188.41 J/mol×K 273.00 Calculated Property
Cp,gas 237.34 J/mol×K 353.78 Calculated Property
Cp,gas 280.97 J/mol×K 434.56 Calculated Property
Cp,gas 319.61 J/mol×K 515.33 Calculated Property
Cp,gas 353.59 J/mol×K 596.11 Calculated Property
Cp,gas 383.20 J/mol×K 676.89 Calculated Property
Cp,gas 408.77 J/mol×K 757.67 Calculated Property
Cp,gas 430.59 J/mol×K 838.44 Calculated Property
Cp,gas 448.99 J/mol×K 919.22 Calculated Property
Cp,gas 464.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclobutanecarboxylic acid, hex-4-yn-3-yl ester. Cyclobutanecarboxylic acid, 2-methyloct-5-yn-4-yl ester. Ethyl cyclobutanecarboxylate. Cyclobutanecarboxylic acid, tridec-2-ynyl ester. 2-propyl 2-methylpentanoate. Cyclobutanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. ISOPROPYL CYCLOHEXANECARBOXYLATE. Butanoic acid, 2-ethyl, 1-methylethyl ester. Glutaric acid, hex-4-yn-3-yl 2-methylbutyl ester. Glutaric acid, but-3-yn-2-yl 2-ethylbutyl ester. Glutaric acid, but-3-yn-2-yl 2-methylbutyl ester. BUTANOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER. Glutaric acid, hex-4-yn-3-yl 2,4,4-trimethylpentyl ester. Glutaric acid, but-3-yn-2-yl 2-methylpentyl ester. Cyclobutanecarboxylic acid, hexyl ester.

Find more compounds similar to Cyclobutanecarboxylic acid, but-3-yn-2-yl ester.

Sources

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