- InChI
- InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChI Key
- NRPFNQUDKRYCNX-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COc1ccc(CC(=O)O)cc1
- Molecular Weight1
- 166.17
- CAS
- 104-01-8
- Other Names
-
- (4-Methoxyphenyl)acetic acid
- (4-methoxyphenyl)ethanoic acid
- (p-Methoxyphenyl)acetic acid
- 2-(p-Anisyl)acetic acid
- 4-Methoxybenzeneacetic acid
- 4-methoxybenzeneethanoic acid
- 4-methoxyphenylacetic acid
- Acetic acid, (p-methoxyphenyl)-
- Homoanisic acid
- MOPA
- NSC 27799
- ethanoic acid, (4-methoxyphenyl)-
- p-Anisylacetic acid
- p-Methoxy-«alpha»-toluic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -455.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.44 | Aq. Solubility Prediction | |
| logPoct/wat | 1.322 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Inp | [1496.00; 1496.00] |
|
|
| Inp | 1496.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Tboil | 571.49 | K | Relay (1.0) Calculated Property |
| Tc | 782.26 | K | Relay (1.0) Calculated Property |
| Tfus | [358.00; 358.05] | K |
|
| Tfus | 358.05 | K | Solubility Measurement, Modeling, and Thermodynamic Functions for para-Methoxyphenylacetic Acid in Pure and Mixed Organic and Aqueous Systems |
| Tfus | 358.00 ± 0.50 | K | NIST |
Cheméo can also estimate Critical Volume, 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 | [305.70; 362.42] | J/mol×K | [605.11; 827.30] |
|
| Cp,gas | 305.70 | J/mol×K | 605.11 | Joback Calculated Property |
| Cp,gas | 316.85 | J/mol×K | 642.14 | Joback Calculated Property |
| Cp,gas | 327.29 | J/mol×K | 679.17 | Joback Calculated Property |
| Cp,gas | 337.04 | J/mol×K | 716.21 | Joback Calculated Property |
| Cp,gas | 346.14 | J/mol×K | 753.24 | Joback Calculated Property |
| Cp,gas | 354.59 | J/mol×K | 790.27 | Joback Calculated Property |
| Cp,gas | 362.42 | J/mol×K | 827.30 | Joback Calculated Property |
| η | [0.0001844; 0.0008791] | Pa×s | [412.96; 605.11] |
|
| η | 0.0008791 | Pa×s | 412.96 | Joback Calculated Property |
| η | 0.0006170 | Pa×s | 444.99 | Joback Calculated Property |
| η | 0.0004542 | Pa×s | 477.01 | Joback Calculated Property |
| η | 0.0003474 | Pa×s | 509.03 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 541.06 | Joback Calculated Property |
| η | 0.0002224 | Pa×s | 573.08 | Joback Calculated Property |
| η | 0.0001844 | Pa×s | 605.11 | Joback Calculated Property |
| ΔfusH | [21.80; 21.80] | kJ/mol | [358.10; 358.10] |
|
| ΔfusH | 21.80 | kJ/mol | 358.10 | NIST |
| ΔfusH | 21.80 | kJ/mol | 358.10 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 413.20 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-methoxy-.
Mixtures
- Benzeneacetic acid, 4-methoxy- + Carbon dioxide
- Benzeneacetic acid, 4-methoxy- + 2-Propanol
- Benzeneacetic acid, 4-methoxy- + Toluene
- Benzeneacetic acid, 4-methoxy- + Morpholine
- Benzeneacetic acid, 4-methoxy- + Acetonitrile
- Benzeneacetic acid, 4-methoxy- + Anisole
- Benzeneacetic acid, 4-methoxy- + Water
- Benzeneacetic acid, 4-methoxy- + 2-Propanol + Water
- Benzeneacetic acid, 4-methoxy- + Toluene + 2-Propanol
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solubilities of cinnamic acid, phenoxyacetic acid and 4-methoxyphenylacetic acid in supercritical carbon dioxide
- Solubility Measurement, Modeling, and Thermodynamic Functions for para-Methoxyphenylacetic Acid in Pure and Mixed Organic and Aqueous Systems
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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