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

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

InChI
InChI=1S/C11H15Cl3O2/c1-4-5-6-9(7-8(2)3)16-10(15)11(12,13)14/h8-9H,4,7H2,1-3H3
InChI Key
BFHVFJFRDWWLLF-UHFFFAOYSA-N
Formula
C11H15Cl3O2
SMILES
CCC#CC(CC(C)C)OC(=O)C(Cl)(Cl)Cl
Molecular Weight1
285.60
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Physical Properties

Property Value Unit Source
ΔfH°gas -341.20 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.29 kJ/mol Joback Calculated Property
ΔvapH° 67.52 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.728 Crippen Calculated Property
McVol 201.410 ml/mol McGowan Calculated Property
Inp 1500.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [466.22; 533.19] J/mol×K [644.55; 868.09] Show Hide
Cp,gas 466.22 J/mol×K 644.55 Joback Calculated Property
Cp,gas 479.47 J/mol×K 681.81 Joback Calculated Property
Cp,gas 491.83 J/mol×K 719.06 Joback Calculated Property
Cp,gas 503.34 J/mol×K 756.32 Joback Calculated Property
Cp,gas 514.04 J/mol×K 793.57 Joback Calculated Property
Cp,gas 523.98 J/mol×K 830.83 Joback Calculated Property
Cp,gas 533.19 J/mol×K 868.09 Joback Calculated Property

Similar Compounds

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

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

Sources

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