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

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

InChI
InChI=1S/C14H23ClO2/c1-4-5-8-13(11-12(2)3)17-14(16)9-6-7-10-15/h12-13H,4,6-7,9-11H2,1-3H3
InChI Key
LGSSOHRMKNDPBM-UHFFFAOYSA-N
Formula
C14H23ClO2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCCCl
Molecular Weight1
258.78
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Physical Properties

Property Value Unit Source
ΔfH°gas -414.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.66 kJ/mol Joback Calculated Property
ΔvapH° 77.21 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.767 Crippen Calculated Property
McVol 219.200 ml/mol McGowan Calculated Property
Inp [1703.30; 1703.30]   Show Hide
Inp 1703.30 NIST
Inp 1703.30 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 [554.47; 641.30] J/mol×K [623.69; 817.14] Show Hide
Cp,gas 554.47 J/mol×K 623.69 Joback Calculated Property
Cp,gas 571.02 J/mol×K 655.93 Joback Calculated Property
Cp,gas 586.71 J/mol×K 688.17 Joback Calculated Property
Cp,gas 601.57 J/mol×K 720.41 Joback Calculated Property
Cp,gas 615.61 J/mol×K 752.66 Joback Calculated Property
Cp,gas 628.85 J/mol×K 784.90 Joback Calculated Property
Cp,gas 641.30 J/mol×K 817.14 Joback Calculated Property

Similar Compounds

valeric acid, 2-methyloct-5-yn-4-yl ester. 5-chlorovaleric acid, 2,7-dimethylocty-7-en-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-Bromovaleric acid, 2-methyloct-5-yn-4-yl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester.

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

Sources

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