Chemical Properties of 3-Phenylpropionic acid, 3-methylbut-2-yl ester

3-Phenylpropionic acid, 3-methylbut-2-yl ester

InChI
InChI=1S/C14H20O2/c1-11(2)12(3)16-14(15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChI Key
TVFXOSYAUARACE-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CC(C)C(C)OC(=O)CCc1ccccc1
Molecular Weight1
220.31
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Physical Properties

Property Value Unit Source
ΔfusH° 23.38 kJ/mol Joback Calculated Property
ΔvapH° 71.39 kJ/mol Relay (1.0) Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -3.43 Relay (1.0) Calculated Property
logPoct/wat 3.207 Crippen Calculated Property
McVol 191.800 ml/mol McGowan Calculated Property
Pc 2047.46 kPa Joback Calculated Property
Inp [1585.00; 1585.00]   Show Hide
Inp 1585.00 NIST
Inp 1585.00 NIST
Tboil 538.09 K Relay (1.0) Calculated Property
Tfus 248.78 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [488.99; 578.45] J/mol×K [603.94; 809.63] Show Hide
Cp,gas 488.99 J/mol×K 603.94 Joback Calculated Property
Cp,gas 506.42 J/mol×K 638.22 Joback Calculated Property
Cp,gas 522.80 J/mol×K 672.50 Joback Calculated Property
Cp,gas 538.16 J/mol×K 706.79 Joback Calculated Property
Cp,gas 552.54 J/mol×K 741.07 Joback Calculated Property
Cp,gas 565.96 J/mol×K 775.35 Joback Calculated Property
Cp,gas 578.45 J/mol×K 809.63 Joback Calculated Property
η [0.0001198; 0.0059711] Pa×s [286.29; 603.94] Show Hide
η 0.0059711 Pa×s 286.29 Joback Calculated Property
η 0.0018724 Pa×s 339.23 Joback Calculated Property
η 0.0008030 Pa×s 392.17 Joback Calculated Property
η 0.0004212 Pa×s 445.12 Joback Calculated Property
η 0.0002534 Pa×s 498.06 Joback Calculated Property
η 0.0001681 Pa×s 551.00 Joback Calculated Property
η 0.0001198 Pa×s 603.94 Joback Calculated Property

Similar Compounds

3-Phenylpropionic acid, 2-methylbutyl ester. Succinic acid, 3-methylbut-2-yl 3-phenylpropyl ester. 3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester. Glutaric acid, 3-methylbut-2-yl 3-phenylpropyl ester. 3-Phenylpropionic acid, 3-methylbutyl ester. Benzenepropanoic acid 1-methylethyl ester. 3-Phenylpropionic acid, 2-methylpentyl ester. Fumaric acid, 3-phenylpropyl 3-methylbut-2-yl ester. 3-Phenylpropionic acid, hex-4-yn-3-yl ester. Benzenepropanol, «alpha»-methyl-, acetate. Succinic acid, 2-methylpent-3-yl 3-phenylpropyl ester. Benzenepropanoic acid, hexyl ester. Benzenepropanoic acid, pentyl ester. 3-Phenylpropionic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methylpent-3-yl 3-phenylpropyl ester.

Find more compounds similar to 3-Phenylpropionic acid, 3-methylbut-2-yl ester.

Sources

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