Chemical Properties of 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester

3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C12H19ClO2/c1-4-5-6-11(9-10(2)3)15-12(14)7-8-13/h10-11H,4,7-9H2,1-3H3
InChI Key
UZTJDQYZKQSKGR-UHFFFAOYSA-N
Formula
C12H19ClO2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCl
Molecular Weight1
230.73
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Physical Properties

Property Value Unit Source
ΔfH°gas -363.69 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.48 kJ/mol Joback Calculated Property
ΔvapH° 71.83 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.987 Crippen Calculated Property
McVol 191.020 ml/mol McGowan Calculated Property
Inp [1463.00; 1463.00]   Show Hide
Inp 1463.00 NIST
Inp 1463.00 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 [272.26; 594.75] 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 A4.44740e+01
Coefficient B9.57860e-01
Coefficient C-4.69060e-04
Coefficient D6.14800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 272.26 J/mol×K 273.00 Calculated Property
Cp,gas 327.36 J/mol×K 353.78 Calculated Property
Cp,gas 377.19 J/mol×K 434.56 Calculated Property
Cp,gas 421.94 J/mol×K 515.33 Calculated Property
Cp,gas 461.81 J/mol×K 596.11 Calculated Property
Cp,gas 496.99 J/mol×K 676.89 Calculated Property
Cp,gas 527.69 J/mol×K 757.67 Calculated Property
Cp,gas 554.08 J/mol×K 838.44 Calculated Property
Cp,gas 576.37 J/mol×K 919.22 Calculated Property
Cp,gas 594.75 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Cloropropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. Butanoic 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. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. 5-Chlorovaleric acid, 2-methyloct-5-yn-4-yl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Dichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, 2,2-dichloroethyl 2-methyloct-5-yn-4-yl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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