- InChI
- InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
- InChI Key
- PFYHAAAQPNMZHO-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COC(=O)c1ccccc1OC
- Molecular Weight1
- 166.17
- CAS
- 606-45-1
- Other Names
-
- 2-Methoxybenzoic acid, methyl ester
- Benzoic acid, o-methoxy-, methyl ester
- Dimethyl derivative of Salicylic acid
- Dimethyl salicylate
- Methyl 2-methoxybenzoate
- Methyl ester of o-Methoxybenzoic acid
- Methyl o-anisate
- Methyl o-methoxybenzoate
- Methylsalicylate methyl ether
- NSC 406256
- o-Anisic acid, methyl ester
- o-Methoxy methyl benzoate
- o-Methoxybenzoic acid methyl ester
- 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).
- 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.
- I : 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).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔfG° | -211.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.482 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Inp | [1292.00; 1362.00] |
|
|
| Inp | 1303.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1351.30 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1303.00 | NIST | |
| Inp | 1351.30 | NIST | |
| I | [2032.00; 2088.00] |
|
|
| I | 2049.00 | NIST | |
| I | 2073.00 | NIST | |
| I | 2032.00 | NIST | |
| I | 2088.00 | NIST | |
| I | 2032.00 | NIST | |
| I | 2088.00 | NIST | |
| I | 2049.00 | NIST | |
| Tboil | 521.20 | K | NIST |
| Tc | 750.72 | K | Joback Calculated Property |
| Tfus | 324.52 | K | Joback Calculated Property |
| Ttriple | 276.42 | K | Thermoc... |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.97; 342.37] | J/mol×K | [535.69; 750.72] |
|
| Cp,gas | 278.97 | J/mol×K | 535.69 | Joback Calculated Property |
| Cp,gas | 291.01 | J/mol×K | 571.53 | Joback Calculated Property |
| Cp,gas | 302.48 | J/mol×K | 607.37 | Joback Calculated Property |
| Cp,gas | 313.35 | J/mol×K | 643.20 | Joback Calculated Property |
| Cp,gas | 323.62 | J/mol×K | 679.04 | Joback Calculated Property |
| Cp,gas | 333.30 | J/mol×K | 714.88 | Joback Calculated Property |
| Cp,gas | 342.37 | J/mol×K | 750.72 | Joback Calculated Property |
| η | [0.0001861; 0.0013483] | Pa×s | [324.52; 535.69] |
|
| η | 0.0013483 | Pa×s | 324.52 | Joback Calculated Property |
| η | 0.0008247 | Pa×s | 359.72 | Joback Calculated Property |
| η | 0.0005507 | Pa×s | 394.91 | Joback Calculated Property |
| η | 0.0003928 | Pa×s | 430.11 | Joback Calculated Property |
| η | 0.0002949 | Pa×s | 465.30 | Joback Calculated Property |
| η | 0.0002305 | Pa×s | 500.50 | Joback Calculated Property |
| η | 0.0001861 | Pa×s | 535.69 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 400.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-methoxy-, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Thermochemical Study of Methyl n-Methoxybenzoates: An Experimental and Computational Approach
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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