- InChI
- InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
- InChI Key
- BVWTXUYLKBHMOX-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- COC(=O)c1ccc(O)c(OC)c1
- Molecular Weight1
- 182.17
- CAS
- 3943-74-6
- Other Names
-
- Vanillic acid, methyl ester
- Methyl vanillate
- Methyl 3-methoxy-4-hydroxybenzoate
- Methyl 4-hydroxy-3-methoxybenzoate
- 4-Hydroxy-3-methoxybenzoic acid methyl ester
- Methyl ester of 4-hydroxy-3-methoxybenzoic acid
- Vanillic acid methyl
- 4-Hydroxy-3-methoxybenzoic acid methyl ester (methyl vanillate)
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -365.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.15 | kJ/mol | Joback Calculated Property |
| log10WS | -1.38 | Crippen Calculated Property | |
| logPoct/wat | 1.187 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Inp | [1481.00; 1527.00] |
|
|
| Inp | 1525.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1516.90 | NIST | |
| Inp | 1527.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | Outlier 1481.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1527.00 | NIST | |
| I | [2565.00; 2635.00] |
|
|
| I | 2600.00 | NIST | |
| I | 2585.00 | NIST | |
| I | 2580.00 | NIST | |
| I | 2586.00 | NIST | |
| I | 2600.00 | NIST | |
| I | 2567.00 | NIST | |
| I | 2578.00 | NIST | |
| I | 2600.00 | NIST | |
| I | 2586.00 | NIST | |
| I | 2629.00 | NIST | |
| I | 2607.00 | NIST | |
| I | 2603.00 | NIST | |
| I | 2604.00 | NIST | |
| I | 2629.00 | NIST | |
| I | 2565.00 | NIST | |
| I | 2629.00 | NIST | |
| I | 2613.00 | NIST | |
| I | 2635.00 | NIST | |
| I | 2598.00 | NIST | |
| I | 2603.00 | NIST | |
| I | 2600.00 | NIST | |
| I | 2567.00 | NIST | |
| I | 2629.00 | NIST | |
| I | 2598.00 | NIST | |
| Tboil | 559.20 | K | NIST |
| Tc | 841.94 | K | Joback Calculated Property |
| Tfus | 436.24 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.39; 381.62] | J/mol×K | [616.31; 841.94] |
|
| Cp,gas | 325.39 | J/mol×K | 616.31 | Joback Calculated Property |
| Cp,gas | 336.25 | J/mol×K | 653.92 | Joback Calculated Property |
| Cp,gas | 346.47 | J/mol×K | 691.52 | Joback Calculated Property |
| Cp,gas | 356.09 | J/mol×K | 729.13 | Joback Calculated Property |
| Cp,gas | 365.12 | J/mol×K | 766.73 | Joback Calculated Property |
| Cp,gas | 373.62 | J/mol×K | 804.34 | Joback Calculated Property |
| Cp,gas | 381.62 | J/mol×K | 841.94 | Joback Calculated Property |
| η | [0.0000270; 0.0004335] | Pa×s | [436.24; 616.31] |
|
| η | 0.0004335 | Pa×s | 436.24 | Joback Calculated Property |
| η | 0.0002352 | Pa×s | 466.25 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 496.26 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 526.27 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 556.29 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 586.30 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 616.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.