Chemical Properties of Trichloroacetic acid, hex-4-yn-3-yl ester

Trichloroacetic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C8H9Cl3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,4H2,1-2H3
InChI Key
ALHKHMGMXWSIDK-UHFFFAOYSA-N
Formula
C8H9Cl3O2
SMILES
CC#CC(CC)OC(=O)C(Cl)(Cl)Cl
Molecular Weight1
243.51
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Physical Properties

Property Value Unit Source
ΔfH°gas -268.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.62 kJ/mol Joback Calculated Property
ΔvapH° 62.65 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.702 Crippen Calculated Property
McVol 159.140 ml/mol McGowan Calculated Property
Inp [1317.00; 1317.00]   Show Hide
Inp 1317.00 NIST
Inp 1317.00 NIST
Tboil 483.14 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [213.07; 405.86] 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 A5.11010e+01
Coefficient B7.11340e-01
Coefficient C-4.60860e-04
Coefficient D1.04280e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 213.07 J/mol×K 273.00 Calculated Property
Cp,gas 249.69 J/mol×K 353.78 Calculated Property
Cp,gas 281.75 J/mol×K 434.56 Calculated Property
Cp,gas 309.56 J/mol×K 515.33 Calculated Property
Cp,gas 333.46 J/mol×K 596.11 Calculated Property
Cp,gas 353.78 J/mol×K 676.89 Calculated Property
Cp,gas 370.85 J/mol×K 757.67 Calculated Property
Cp,gas 385.00 J/mol×K 838.44 Calculated Property
Cp,gas 396.56 J/mol×K 919.22 Calculated Property
Cp,gas 405.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dichloroacetic acid, hex-4-yn-3-yl ester. 2,2-Dimethylpropanoic acid, hex-4-yn-3-yl ester. Acetoxyacetic acid, hex-4-yn-3-yl ester. 3-Chloropropionic acid, hex-4-yn-3-yl ester. Butanoic acid, hex-4-yn-3-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. valeric acid, hex-4-yn-3-yl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. Cyclopropanecarboxylic acid, hex-4-yn-3-yl ester. 4-Bromobutanoic acid, hex-4-yn-3-yl ester. Succinic acid, hex-4-yn-3-yl neopentyl ester. Hexanoic acid, hex-4-yn-3-yl ester. Glutaric acid, ethyl hex-4-yn-3-yl ester. Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to Trichloroacetic acid, hex-4-yn-3-yl ester.

Sources

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