- InChI
- InChI=1S/C8H8O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,9-10H,1H3
- InChI Key
- XGDPKUKRQHHZTH-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- COC(=O)c1cc(O)ccc1O
- Molecular Weight1
- 168.15
- CAS
- 2150-46-1
- Other Names
-
- Gentisic acid, methyl ester
- Methyl gentisate
- Methyl 2,5-dihydroxybenzoate
- 2,5-Dihydroxybenzoic 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).
- 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° | -414.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.86 | kJ/mol | Joback Calculated Property |
| log10WS | -0.81 | Crippen Calculated Property | |
| logPoct/wat | 0.884 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Pc | 5818.28 | kPa | Joback Calculated Property |
| Inp | 1519.00 | NIST | |
| I | [2985.00; 2993.00] |
|
|
| I | 2985.00 | NIST | |
| I | 2993.00 | NIST | |
| I | 2993.00 | NIST | |
| Tboil | 646.65 | K | Joback Calculated Property |
| Tc | 888.33 | K | Joback Calculated Property |
| Tfus | 501.94 | K | Joback Calculated Property |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.69; 345.91] | J/mol×K | [646.65; 888.33] |
|
| Cp,gas | 299.69 | J/mol×K | 646.65 | Joback Calculated Property |
| Cp,gas | 308.47 | J/mol×K | 686.93 | Joback Calculated Property |
| Cp,gas | 316.66 | J/mol×K | 727.21 | Joback Calculated Property |
| Cp,gas | 324.37 | J/mol×K | 767.49 | Joback Calculated Property |
| Cp,gas | 331.74 | J/mol×K | 807.77 | Joback Calculated Property |
| Cp,gas | 338.88 | J/mol×K | 848.05 | Joback Calculated Property |
| Cp,gas | 345.91 | J/mol×K | 888.33 | Joback Calculated Property |
| η | [0.0000038; 0.0000678] | Pa×s | [501.94; 646.65] |
|
| η | 0.0000678 | Pa×s | 501.94 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 526.06 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 550.18 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 574.29 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 598.41 | Joback Calculated Property |
| η | 0.0000055 | Pa×s | 622.53 | Joback Calculated Property |
| η | 0.0000038 | Pa×s | 646.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,5-dihydroxy-, methyl ester.
Sources
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