Chemical Properties of 5-chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester

5-chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester

InChI
InChI=1S/C15H23ClO2/c1-12(2)8-9-14(11-13(3)4)18-15(17)7-5-6-10-16/h13-14H,1,5-7,10-11H2,2-4H3
InChI Key
MABVZJMLUHQMDS-UHFFFAOYSA-N
Formula
C15H23ClO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCl
Molecular Weight1
270.80
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Physical Properties

Property Value Unit Source
Δfus 36.66 kJ/mol Joback Calculated Property
logPoct/wat 3.933 Crippen Calculated Property
McVol 228.990 ml/mol McGowan Calculated Property
Inp 1750.80 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [584.48; 671.45] J/mol×K [643.13; 840.54] Show Hide
Cp,gas 584.48 J/mol×K 643.13 Joback Calculated Property
Cp,gas 601.17 J/mol×K 676.03 Joback Calculated Property
Cp,gas 616.96 J/mol×K 708.93 Joback Calculated Property
Cp,gas 631.85 J/mol×K 741.83 Joback Calculated Property
Cp,gas 645.88 J/mol×K 774.74 Joback Calculated Property
Cp,gas 659.07 J/mol×K 807.64 Joback Calculated Property
Cp,gas 671.45 J/mol×K 840.54 Joback Calculated Property

Similar Compounds

Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. 5-Bromovaleric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-Chlorovaleric acid, 2-methyloct-5-yn-4-yl ester. Undec-10-ynoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 6-Bromohexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. 3-Cloropropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester.

Find more compounds similar to 5-chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester.

Sources

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