Chemical Properties of 4-Butylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

4-Butylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C22H30O2/c1-6-8-10-19-12-14-20(15-13-19)22(23)24-21(16-11-17(3)4)18(5)9-7-2/h12-15,18,21H,3,6-10H2,1-2,4-5H3
InChI Key
MSZYPLUSJWKCEC-UHFFFAOYSA-N
Formula
C22H30O2
SMILES
C=C(C)C#CC(OC(=O)c1ccc(CCCC)cc1)C(C)CCC
Molecular Weight1
326.47
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Physical Properties

Property Value Unit Source
ΔfusH° 44.24 kJ/mol Joback Calculated Property
logPoct/wat 5.570 Crippen Calculated Property
McVol 291.620 ml/mol McGowan Calculated Property
Inp [2288.30; 2288.30]   Show Hide
Inp 2288.30 NIST
Inp 2288.30 NIST
Tfus 275.70 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [862.37; 955.16] J/mol×K [797.52; 1008.93] Show Hide
Cp,gas 862.37 J/mol×K 797.52 Joback Calculated Property
Cp,gas 880.80 J/mol×K 832.75 Joback Calculated Property
Cp,gas 897.97 J/mol×K 867.99 Joback Calculated Property
Cp,gas 913.95 J/mol×K 903.22 Joback Calculated Property
Cp,gas 928.77 J/mol×K 938.46 Joback Calculated Property
Cp,gas 942.49 J/mol×K 973.69 Joback Calculated Property
Cp,gas 955.16 J/mol×K 1008.93 Joback Calculated Property

Similar Compounds

4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-butylbenzoic acid, 2-methyloct-5-yn-4-yl ester. o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Butylbenzoic acid, 2-adamantyl ester. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Quinidine. Quinine. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Hydroquinidine. 1-Methyl-4-piperidyl cyclopentylphenylglycolate. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-.

Find more compounds similar to 4-Butylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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