Chemical Properties of Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

InChI
InChI=1S/C20H26O2/c1-6-19(17-10-8-7-9-11-17)20(21)22-18(14-16(4)5)13-12-15(2)3/h7-11,16,18-19H,2,6,14H2,1,3-5H3
InChI Key
IKZXFTGYQYJYBW-UHFFFAOYSA-N
Formula
C20H26O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)C(CC)c1ccccc1
Molecular Weight1
298.43
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Physical Properties

Property Value Unit Source
ΔfusH° 35.93 kJ/mol Joback Calculated Property
logPoct/wat 4.718 Crippen Calculated Property
McVol 263.440 ml/mol McGowan Calculated Property
Inp [1896.00; 1896.00]   Show Hide
Inp 1896.00 NIST
Inp 1896.00 NIST
Tboil 578.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [747.85; 841.31] J/mol×K [746.34; 965.20] Show Hide
Cp,gas 747.85 J/mol×K 746.34 Joback Calculated Property
Cp,gas 766.52 J/mol×K 782.82 Joback Calculated Property
Cp,gas 783.88 J/mol×K 819.29 Joback Calculated Property
Cp,gas 799.98 J/mol×K 855.77 Joback Calculated Property
Cp,gas 814.88 J/mol×K 892.25 Joback Calculated Property
Cp,gas 828.64 J/mol×K 928.72 Joback Calculated Property
Cp,gas 841.31 J/mol×K 965.20 Joback Calculated Property

Similar Compounds

Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester. Butyric acid, 2-phenyl-, 2-methylpent-3-yl ester. Butyric acid, 2-phenyl-, hept-2-yl ester. Butyric acid, 2-phenyl-, dec-2-yl ester. Butyric acid, 2-phenyl-, hex-4-yn-3-yl ester. Butyric acid, 2-phenyl-, pent-2-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenbutrazate. Quinine. Quinapril Me. Quinidine. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester.

Find more compounds similar to Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Sources

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