- 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
-
- p-Isopropyl phenyl acetic acid
- Benzeneacetic acid, 4-(1-methylethyl)-
- 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° | -123.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.73 | 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 | 3103.64 | 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 | 780.70 | K | Relay (1.0) Calculated Property |
| Tfus | 354.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.526 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.11; 437.45] | J/mol×K | [628.35; 830.56] |
|
| Cp,gas | 375.11 | J/mol×K | 628.35 | Joback Calculated Property |
| Cp,gas | 387.20 | J/mol×K | 662.05 | Joback Calculated Property |
| Cp,gas | 398.56 | J/mol×K | 695.75 | Joback Calculated Property |
| Cp,gas | 409.25 | J/mol×K | 729.46 | Joback Calculated Property |
| Cp,gas | 419.27 | J/mol×K | 763.16 | Joback Calculated Property |
| Cp,gas | 428.66 | J/mol×K | 796.86 | Joback Calculated Property |
| Cp,gas | 437.45 | J/mol×K | 830.56 | Joback Calculated Property |
| η | [0.0000707; 0.0050073] | Pa×s | [348.42; 628.35] |
|
| η | 0.0050073 | Pa×s | 348.42 | Joback Calculated Property |
| η | 0.0016186 | Pa×s | 395.07 | Joback Calculated Property |
| η | 0.0006642 | Pa×s | 441.73 | Joback Calculated Property |
| η | 0.0003231 | Pa×s | 488.38 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 535.04 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 581.69 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 628.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropylphenylacetic acid.
Sources
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