- InChI
- InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
- InChI Key
- MWAYRGBWOVHDDZ-UHFFFAOYSA-N
- Formula
- C10H12O4
- SMILES
- CCOC(=O)c1ccc(O)c(OC)c1
- Molecular Weight1
- 196.20
- CAS
- 617-05-0
- Other Names
-
- Vanillic acid, ethyl ester
- Ethyl vanillate
- 4-Hydroxy-3-methoxybenzoic acid ethyl ester
- Ethyl 4-hydroxy-3-methoxybenzoate
- m-Anisic acid, 4-hydroxy-, ethyl ester
- 3-Methoxy-4-hydroxybenzoic acid, ethyl 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).
- 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° | -357.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.577 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1589.00] |
|
|
| Inp | 1574.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1582.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1589.00 | NIST | |
| I | [2612.00; 2676.00] |
|
|
| I | 2676.00 | NIST | |
| I | 2653.00 | NIST | |
| I | 2676.00 | NIST | |
| I | 2654.00 | NIST | |
| I | 2665.00 | NIST | |
| I | 2668.00 | NIST | |
| I | 2676.00 | NIST | |
| I | 2676.00 | NIST | |
| I | 2615.00 | NIST | |
| I | 2616.00 | NIST | |
| I | 2623.00 | NIST | |
| I | 2658.00 | NIST | |
| I | 2654.00 | NIST | |
| I | 2654.00 | NIST | |
| I | 2614.00 | NIST | |
| I | 2661.00 | NIST | |
| I | 2612.00 | NIST | |
| I | 2658.00 | NIST | |
| I | 2612.00 | NIST | |
| I | 2653.00 | NIST | |
| Tboil | 639.19 | K | Joback Calculated Property |
| Tc | 860.68 | K | Joback Calculated Property |
| Tfus | 447.51 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.77; 433.57] | J/mol×K | [639.19; 860.68] |
|
| Cp,gas | 372.77 | J/mol×K | 639.19 | Joback Calculated Property |
| Cp,gas | 384.49 | J/mol×K | 676.10 | Joback Calculated Property |
| Cp,gas | 395.53 | J/mol×K | 713.02 | Joback Calculated Property |
| Cp,gas | 405.91 | J/mol×K | 749.93 | Joback Calculated Property |
| Cp,gas | 415.69 | J/mol×K | 786.85 | Joback Calculated Property |
| Cp,gas | 424.90 | J/mol×K | 823.76 | Joback Calculated Property |
| Cp,gas | 433.57 | J/mol×K | 860.68 | Joback Calculated Property |
| η | [0.0000217; 0.0003718] | Pa×s | [447.51; 639.19] |
|
| η | 0.0003718 | Pa×s | 447.51 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 479.46 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 511.40 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 543.35 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 575.30 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 607.24 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 639.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester.
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