- InChI
- InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
- InChI Key
- KVZUCOGWKYOPID-UHFFFAOYSA-N
- Formula
- C10H12O5
- SMILES
- COc1cc(OC)c(C(=O)O)cc1OC
- Molecular Weight1
- 212.20
- CAS
- 490-64-2
- Other Names
-
- 2,4,5-Trimethoxybenzoic acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -463.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -709.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.77 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.411 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Inp | [1927.90; 1927.90] |
|
|
| Inp | 1927.90 | NIST | |
| Inp | 1927.90 | NIST | |
| Tboil | 683.13 | K | Joback Calculated Property |
| Tc | 881.29 | K | Joback Calculated Property |
| Tfus | 443.88 | K | Joback Calculated Property |
| Vc | 0.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.28; 449.51] | J/mol×K | [683.13; 881.29] |
|
| Cp,gas | 395.28 | J/mol×K | 683.13 | Joback Calculated Property |
| Cp,gas | 405.78 | J/mol×K | 716.16 | Joback Calculated Property |
| Cp,gas | 415.73 | J/mol×K | 749.18 | Joback Calculated Property |
| Cp,gas | 425.10 | J/mol×K | 782.21 | Joback Calculated Property |
| Cp,gas | 433.87 | J/mol×K | 815.24 | Joback Calculated Property |
| Cp,gas | 442.01 | J/mol×K | 848.26 | Joback Calculated Property |
| Cp,gas | 449.51 | J/mol×K | 881.29 | Joback Calculated Property |
| η | [0.0000353; 0.0005426] | Pa×s | [443.88; 683.13] |
|
| η | 0.0005426 | Pa×s | 443.88 | Joback Calculated Property |
| η | 0.0002852 | Pa×s | 483.75 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 523.63 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 563.50 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 603.38 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 643.25 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 683.13 | Joback Calculated Property |
| ΔfusH | 31.15 | kJ/mol | 417.90 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,4,5-trimethoxy-.
Sources
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