- InChI
- InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
- InChI Key
- AQDIJIAUYXOCGX-UHFFFAOYSA-N
- Formula
- C8H8O5
- SMILES
- COC(=O)c1c(O)cc(O)cc1O
- Molecular Weight1
- 184.15
- CAS
- 3147-39-5
- Other Names
-
- Methyl gallate
- Benzoic acid, 2,4,6-trihydroxy-, 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).
- 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° | -568.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.88 | kJ/mol | Joback Calculated Property |
| log10WS | -0.36 | Crippen Calculated Property | |
| logPoct/wat | 0.590 | Crippen Calculated Property | |
| McVol | 124.870 | ml/mol | McGowan Calculated Property |
| Pc | 7406.07 | kPa | Joback Calculated Property |
| Tboil | 727.27 | K | Joback Calculated Property |
| Tc | 976.22 | K | Joback Calculated Property |
| Tfus | 613.66 | K | Joback Calculated Property |
| Vc | 0.297 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.79; 383.02] | J/mol×K | [727.27; 976.22] | 
|
| Cp,gas | 335.79 | J/mol×K | 727.27 | Joback Calculated Property |
| Cp,gas | 343.51 | J/mol×K | 768.76 | Joback Calculated Property |
| Cp,gas | 351.03 | J/mol×K | 810.25 | Joback Calculated Property |
| Cp,gas | 358.55 | J/mol×K | 851.75 | Joback Calculated Property |
| Cp,gas | 366.26 | J/mol×K | 893.24 | Joback Calculated Property |
| Cp,gas | 374.35 | J/mol×K | 934.73 | Joback Calculated Property |
| Cp,gas | 383.02 | J/mol×K | 976.22 | Joback Calculated Property |
| η | [0.0000001; 0.0000014] | Pa×s | [613.66; 727.27] |
|
| η | 0.0000014 | Pa×s | 613.66 | Joback Calculated Property |
| η | 0.0000009 | Pa×s | 632.60 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 651.53 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 670.46 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 689.40 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 708.34 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 727.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,4,6-trihydroxybenzoate.
Sources
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