- InChI
- InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
- InChI Key
- XHQZJYCNDZAGLW-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- COc1cccc(C(=O)O)c1
- Molecular Weight1
- 152.15
- CAS
- 586-38-9
- Other Names
-
- 3-methoxybenzoic acid
- m-Methoxybenzoic acid
- m-anisic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3737.91 ± 0.60 | kJ/mol | NIST |
| ΔfG° | -251.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.10 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | -553.50 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 21.90 | kJ/mol | Benzoic... |
| ΔsubH° | [107.40; 114.70] | kJ/mol |
|
| ΔsubH° | 114.70 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 107.50 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 107.40 | kJ/mol | NIST |
| ΔvapH° | 95.00 | kJ/mol | NIST |
| IE | 9.10 ± 0.20 | eV | NIST |
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 1.393 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 4260.71 | kPa | Joback Calculated Property |
| Inp | [1404.00; 1413.00] |
|
|
| Inp | 1404.00 | NIST | |
| Inp | 1413.00 | NIST | |
| Tboil | 582.57 | K | Joback Calculated Property |
| Tc | 787.82 | K | Joback Calculated Property |
| Tfus | 351.84 | K | Joback Calculated Property |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.47; 305.30] | J/mol×K | [582.57; 787.82] |
|
| Cp,gas | 257.47 | J/mol×K | 582.57 | Joback Calculated Property |
| Cp,gas | 266.70 | J/mol×K | 616.78 | Joback Calculated Property |
| Cp,gas | 275.42 | J/mol×K | 650.99 | Joback Calculated Property |
| Cp,gas | 283.63 | J/mol×K | 685.20 | Joback Calculated Property |
| Cp,gas | 291.34 | J/mol×K | 719.41 | Joback Calculated Property |
| Cp,gas | 298.56 | J/mol×K | 753.62 | Joback Calculated Property |
| Cp,gas | 305.30 | J/mol×K | 787.82 | Joback Calculated Property |
| η | [0.0000920; 0.0031310] | Pa×s | [351.84; 582.57] |
|
| η | 0.0031310 | Pa×s | 351.84 | Joback Calculated Property |
| η | 0.0013019 | Pa×s | 390.30 | Joback Calculated Property |
| η | 0.0006336 | Pa×s | 428.75 | Joback Calculated Property |
| η | 0.0003472 | Pa×s | 467.20 | Joback Calculated Property |
| η | 0.0002085 | Pa×s | 505.66 | Joback Calculated Property |
| η | 0.0001345 | Pa×s | 544.12 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 582.57 | Joback Calculated Property |
| ΔfusH | 24.90 | kJ/mol | 378.70 | NIST |
| ΔsubH | 107.40 ± 0.40 | kJ/mol | 318.12 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 444.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methoxy-.
Sources
- Crippen Method
- Crippen Method
- Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods
- Joback Method
- McGowan Method
- NIST Webbook
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