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

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

InChI
InChI=1S/C17H22O2/c1-4-5-11-16(12-14(2)3)19-17(18)13-15-9-7-6-8-10-15/h6-10,14,16H,4,12-13H2,1-3H3
InChI Key
OPDLFTTWEXFJKN-UHFFFAOYSA-N
Formula
C17H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)Cc1ccccc1
Molecular Weight1
258.36
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Physical Properties

Property Value Unit Source
ΔfusH° 34.27 kJ/mol Joback Calculated Property
ΔvapH° 81.87 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.600 Crippen Calculated Property
McVol 225.470 ml/mol McGowan Calculated Property
Inp [1780.40; 1780.40]   Show Hide
Inp 1780.40 NIST
Inp 1780.40 NIST
Tboil 561.48 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 [605.58; 696.68] J/mol×K [681.58; 899.64] Show Hide
Cp,gas 605.58 J/mol×K 681.58 Joback Calculated Property
Cp,gas 623.64 J/mol×K 717.92 Joback Calculated Property
Cp,gas 640.50 J/mol×K 754.27 Joback Calculated Property
Cp,gas 656.19 J/mol×K 790.61 Joback Calculated Property
Cp,gas 670.76 J/mol×K 826.96 Joback Calculated Property
Cp,gas 684.24 J/mol×K 863.30 Joback Calculated Property
Cp,gas 696.68 J/mol×K 899.64 Joback Calculated Property

Similar Compounds

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

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

Sources

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