- InChI
- InChI=1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12)
- InChI Key
- RBQIPEJXQPQFJX-UHFFFAOYSA-N
- Formula
- C7H7NO4
- SMILES
- NC(=O)c1cc(O)c(O)c(O)c1
- Molecular Weight1
- 169.13
- CAS
- 618-73-5
- Other Names
-
- Benzamide, 3,4,5-trihydroxy-
- Gallamide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9106 | Relay (1.0) Calculated Property | |
| ΔfG° | -405.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.098 | Crippen Calculated Property | |
| McVol | 114.890 | ml/mol | McGowan Calculated Property |
| Pc | 10161.94 | kPa | Joback Calculated Property |
| Tboil | 597.72 | K | Relay (1.0) Calculated Property |
| Tc | 926.54 | K | Relay (1.0) Calculated Property |
| Tfus | 490.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.71; 358.18] | J/mol×K | [754.50; 1017.67] | 
|
| Cp,gas | 311.71 | J/mol×K | 754.50 | Joback Calculated Property |
| Cp,gas | 318.49 | J/mol×K | 798.36 | Joback Calculated Property |
| Cp,gas | 325.32 | J/mol×K | 842.22 | Joback Calculated Property |
| Cp,gas | 332.45 | J/mol×K | 886.08 | Joback Calculated Property |
| Cp,gas | 340.13 | J/mol×K | 929.95 | Joback Calculated Property |
| Cp,gas | 348.63 | J/mol×K | 973.81 | Joback Calculated Property |
| Cp,gas | 358.18 | J/mol×K | 1017.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5-Trihydroxybenzamide.
Sources
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