- InChI
- InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
- InChI Key
- KACHFMOHOPLTNX-UHFFFAOYSA-N
- Formula
- C11H14O5
- SMILES
- COC(=O)c1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 226.23
- CAS
- 1916-07-0
- Other Names
-
- 3,4,5-Trimethoxybenzoic acid, methyl ester
- Methyl 3,4,5-trimethoxybenzoate
- Methyl tri-O-methylgallate
- Trimethylgallic 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.
- 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° | -423.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -709.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | [1669.00; 1678.00] |
|
|
| Inp | 1678.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Tboil | 547.70 | K | NIST |
| Tc | 841.99 | K | Joback Calculated Property |
| Tfus | 416.56 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.02; 488.20] | J/mol×K | [636.25; 841.99] |
|
| Cp,gas | 419.02 | J/mol×K | 636.25 | Joback Calculated Property |
| Cp,gas | 432.20 | J/mol×K | 670.54 | Joback Calculated Property |
| Cp,gas | 444.77 | J/mol×K | 704.83 | Joback Calculated Property |
| Cp,gas | 456.70 | J/mol×K | 739.12 | Joback Calculated Property |
| Cp,gas | 467.94 | J/mol×K | 773.41 | Joback Calculated Property |
| Cp,gas | 478.45 | J/mol×K | 807.70 | Joback Calculated Property |
| Cp,gas | 488.20 | J/mol×K | 841.99 | Joback Calculated Property |
| η | [0.0000985; 0.0005003] | Pa×s | [416.56; 636.25] |
|
| η | 0.0005003 | Pa×s | 416.56 | Joback Calculated Property |
| η | 0.0003420 | Pa×s | 453.18 | Joback Calculated Property |
| η | 0.0002475 | Pa×s | 489.79 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 526.40 | Joback Calculated Property |
| η | 0.0001471 | Pa×s | 563.02 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 599.63 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 636.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,4,5-trimethoxy-, methyl ester.
Sources
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