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

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

InChI
InChI=1S/C11H16Cl2O2/c1-4-5-6-9(7-8(2)3)15-11(14)10(12)13/h8-10H,4,7H2,1-3H3
InChI Key
AHCSRIQXLAZANZ-UHFFFAOYSA-N
Formula
C11H16Cl2O2
SMILES
CCC#CC(CC(C)C)OC(=O)C(Cl)Cl
Molecular Weight1
251.15
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Physical Properties

Property Value Unit Source
ΔfH°gas -352.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.56 kJ/mol Joback Calculated Property
ΔvapH° 68.71 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.161 Crippen Calculated Property
McVol 189.170 ml/mol McGowan Calculated Property
Inp [1431.00; 1431.00]   Show Hide
Inp 1431.00 NIST
Inp 1431.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [264.14; 551.97] 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 A5.65920e+01
Coefficient B8.75560e-01
Coefficient C-4.38260e-04
Coefficient D5.80800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 264.14 J/mol×K 273.00 Calculated Property
Cp,gas 314.07 J/mol×K 353.78 Calculated Property
Cp,gas 359.08 J/mol×K 434.56 Calculated Property
Cp,gas 399.36 J/mol×K 515.33 Calculated Property
Cp,gas 435.09 J/mol×K 596.11 Calculated Property
Cp,gas 466.46 J/mol×K 676.89 Calculated Property
Cp,gas 493.65 J/mol×K 757.67 Calculated Property
Cp,gas 516.84 J/mol×K 838.44 Calculated Property
Cp,gas 536.22 J/mol×K 919.22 Calculated Property
Cp,gas 551.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl. 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. Succinic acid, 2,2-dichloroethyl 2-methyloct-5-yn-4-yl ester. Acetoxyacetic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, hex-4-yn-3-yl 2-methyloct-5-yn-4-yl ester. valeric acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Cyclopropanecarboxylic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester.

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

Sources

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