Chemical Properties of Butyric acid, 2-phenyl-, tridec-2-yn-1-yl ester

Butyric acid, 2-phenyl-, tridec-2-yn-1-yl ester

InChI
InChI=1S/C23H34O2/c1-3-5-6-7-8-9-10-11-12-13-17-20-25-23(24)22(4-2)21-18-15-14-16-19-21/h14-16,18-19,22H,3-12,20H2,1-2H3
InChI Key
NIXUUFIWTOJRBJ-UHFFFAOYSA-N
Formula
C23H34O2
SMILES
CCCCCCCCCCC#CCOC(=O)C(CC)c1ccccc1
Molecular Weight1
342.52
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Physical Properties

Property Value Unit Source
ΔfusH° 53.34 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
logPoct/wat 6.258 Crippen Calculated Property
McVol 310.010 ml/mol McGowan Calculated Property
Pc 1171.22 kPa Joback Calculated Property
Inp [2491.00; 2491.00]   Show Hide
Inp 2491.00 NIST
Inp 2491.00 NIST
Tboil 622.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [948.75; 1043.22] J/mol×K [819.30; 1021.86] Show Hide
Cp,gas 948.75 J/mol×K 819.30 Joback Calculated Property
Cp,gas 967.41 J/mol×K 853.06 Joback Calculated Property
Cp,gas 984.84 J/mol×K 886.82 Joback Calculated Property
Cp,gas 1001.08 J/mol×K 920.58 Joback Calculated Property
Cp,gas 1016.19 J/mol×K 954.34 Joback Calculated Property
Cp,gas 1030.22 J/mol×K 988.10 Joback Calculated Property
Cp,gas 1043.22 J/mol×K 1021.86 Joback Calculated Property

Similar Compounds

Butyric acid, 2-phenyl-, heptadecyl ester. Butyric acid, 2-phenyl-, tetradecyl ester. Butyric acid, 2-phenyl-, hexadecyl ester. Butyric acid, 2-phenyl-, octyl ester. Butyric acid, 2-phenyl-, pentadecyl ester. Butyric acid, 2-phenyl-, tridecyl ester. Butyric acid, 2-phenyl-, undecyl ester. Butyric acid, 2-phenyl-, octadecyl ester. Butyric acid, 2-phenyl-, decyl ester. Butyric acid, 2-phenyl-, nonyl ester. Butyric acid, 2-phenyl-, dodecyl ester. Butyric acid, 2-phenyl-, heptyl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, hexyl ester. Butyric acid, 2-phenyl-, pentyl ester.

Find more compounds similar to Butyric acid, 2-phenyl-, tridec-2-yn-1-yl ester.

Sources

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