- InChI
- InChI=1S/C11H14O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
- InChI Key
- RERBQXVRXYCGLT-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC(C)c1ccc(CC(=O)O)cc1
- Molecular Weight1
- 178.23
- CAS
- 4476-28-2
- Other Names
-
- Benzeneacetic acid, 4-(1-methylethyl)-
- p-Isopropyl phenyl acetic 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).
- Inp : Non-polar retention indices.
- 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 | 0.7042 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.437 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | [1514.00; 1514.00] |
|
|
| Inp | 1514.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 556.50 | K | Relay (1.0) Calculated Property |
| Tc | 787.44 | K | Relay (1.0) Calculated Property |
| Tfus | 325.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.43; 476.58] | 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 | -2.37990e+01 | |||
| Coefficient B | 9.67140e-01 | |||
| Coefficient C | -6.14560e-04 | |||
| Coefficient D | 1.47800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 292.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 331.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 365.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 395.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 420.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 442.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 460.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 476.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042351; 0.0002159] | Pa×s | [325.15; 594.67] |
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 | -1.20309e+01 | |||
| Coefficient B | 2.13512e+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. | 325.15 | |||
| Temperature range, max. | 594.67 | |||
| η | 0.0042351 | Pa×s | 325.15 | Calculated Property |
| η | 0.0024342 | Pa×s | 355.10 | Calculated Property |
| η | 0.0015250 | Pa×s | 385.04 | Calculated Property |
| η | 0.0010221 | Pa×s | 414.99 | Calculated Property |
| η | 0.0007229 | Pa×s | 444.94 | Calculated Property |
| η | 0.0005342 | Pa×s | 474.88 | Calculated Property |
| η | 0.0004091 | Pa×s | 504.83 | Calculated Property |
| η | 0.0003228 | Pa×s | 534.78 | Calculated Property |
| η | 0.0002612 | Pa×s | 564.72 | Calculated Property |
| η | 0.0002159 | Pa×s | 594.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropylphenylacetic 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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