- InChI
- InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
- InChI Key
- DUKYPQBGYRJVAN-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COC(=O)c1cccc(OC)c1
- Molecular Weight1
- 166.17
- CAS
- 5368-81-0
- Other Names
-
- m-Anisic acid, methyl ester
- m-Methoxybenzoic acid methyl ester
- Methyl m-anisate
- Methyl m-methoxybenzoate
- Methyl 3-methoxybenzoate
- 3-Methoxybenoic acid methyl ester
- 3-Methoxybenzoic acid methyl ester
- Methyl ester of m-Methoxybenzoic acid
- 3-CH3O-C6H4-COOCH3
- NSC 100922
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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.
- 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 |
|---|---|---|---|
| PAff | 856.70 | kJ/mol | NIST |
| BasG | 825.80 | kJ/mol | NIST |
| 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 | [1316.00; 1358.90] |
|
|
| Inp | 1316.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1358.90 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1358.90 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Tboil | 535.69 | K | Joback Calculated Property |
| Tc | 750.72 | K | Joback Calculated Property |
| Tfus | 324.52 | K | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methoxy-, methyl ester.
Sources
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