Chemical Properties of phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C18H22O2/c1-14(2)10-11-17(12-15(3)4)20-18(19)13-16-8-6-5-7-9-16/h5-9,15,17H,1,12-13H2,2-4H3
InChI Key
KUQMVCQVSLJQDB-UHFFFAOYSA-N
Formula
C18H22O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)Cc1ccccc1
Molecular Weight1
270.37
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Physical Properties

Property Value Unit Source
ΔfusH° 32.69 kJ/mol Joback Calculated Property
ΔvapH° 84.24 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.766 Crippen Calculated Property
McVol 235.260 ml/mol McGowan Calculated Property
Inp 1826.30 NIST
Tboil 568.50 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, 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 [641.70; 731.06] J/mol×K [718.89; 942.50] Show Hide
Cp,gas 641.70 J/mol×K 718.89 Joback Calculated Property
Cp,gas 659.40 J/mol×K 756.16 Joback Calculated Property
Cp,gas 675.92 J/mol×K 793.43 Joback Calculated Property
Cp,gas 691.29 J/mol×K 830.69 Joback Calculated Property
Cp,gas 705.57 J/mol×K 867.96 Joback Calculated Property
Cp,gas 718.81 J/mol×K 905.23 Joback Calculated Property
Cp,gas 731.06 J/mol×K 942.50 Joback Calculated Property

Similar Compounds

Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-nitro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. phenylacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Benzeneacetic acid, 4-chloro-, 2-methyloct-5-yn-4-yl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Benzeneacetic acid, 4-nitro-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. 2-Thiopheneacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

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

Sources

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