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° 29.90 kJ/mol Joback Calculated Property
ΔvapH° 70.48 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [458.46; 538.26] J/mol×K [595.80; 796.63] Show Hide
Cp,gas 458.46 J/mol×K 595.80 Joback Calculated Property
Cp,gas 473.57 J/mol×K 629.27 Joback Calculated Property
Cp,gas 487.94 J/mol×K 662.74 Joback Calculated Property
Cp,gas 501.58 J/mol×K 696.22 Joback Calculated Property
Cp,gas 514.51 J/mol×K 729.69 Joback Calculated Property
Cp,gas 526.73 J/mol×K 763.16 Joback Calculated Property
Cp,gas 538.26 J/mol×K 796.63 Joback 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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