- InChI
- InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
- InChI Key
- LDYGRLNSOKABMM-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- Cc1ccc(CCC(=O)O)cc1
- Molecular Weight1
- 164.20
- Other Names
-
- 3-(p-Tolyl)propionic acid
- Benzenepropanoic acid, 4-methyl-
- p-Methylhydrocinnamic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7165 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Tboil | 557.05 | K | Relay (1.0) Calculated Property |
| Tc | 774.72 | K | Relay (1.0) Calculated Property |
| Tfus | 389.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.54; 424.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.12080e+01 | |||
| Coefficient B | 8.66220e-01 | |||
| Coefficient C | -5.56960e-04 | |||
| Coefficient D | 1.36400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 261.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 295.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 326.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013170; 0.0002441] | Pa×s | [389.15; 578.58] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.17799e+01 | |||
| Coefficient B | 2.00314e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 389.15 | |||
| Temperature range, max. | 578.58 | |||
| η | 0.0013170 | Pa×s | 389.15 | Calculated Property |
| η | 0.0010113 | Pa×s | 410.20 | Calculated Property |
| η | 0.0007968 | Pa×s | 431.25 | Calculated Property |
| η | 0.0006419 | Pa×s | 452.29 | Calculated Property |
| η | 0.0005272 | Pa×s | 473.34 | Calculated Property |
| η | 0.0004403 | Pa×s | 494.39 | Calculated Property |
| η | 0.0003731 | Pa×s | 515.44 | Calculated Property |
| η | 0.0003204 | Pa×s | 536.49 | Calculated Property |
| η | 0.0002782 | Pa×s | 557.54 | Calculated Property |
| η | 0.0002441 | Pa×s | 578.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-(4-Methylphenyl)propionic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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