- InChI
- InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
- InChI Key
- IBHWREHFNDMRPR-UHFFFAOYSA-N
- Formula
- C7H6O5
- SMILES
- O=C(O)c1c(O)cc(O)cc1O
- Molecular Weight1
- 170.12
- CAS
- 83-30-7
- Other Names
-
- Phloroglucinol carboxylic acid
- 2,4,6-Trichydroxybenzoic acid
- Benzoic acid, 2,4,6-trihydroxy-
- Phloroglucincarboxylic acid
- Phloroglucinic acid
- 2,4,6-Trihydroxybenzene carboxylic 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).
- 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° | -609.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.92 | kJ/mol | Joback Calculated Property |
| log10WS | -0.18 | Crippen Calculated Property | |
| logPoct/wat | 0.502 | Crippen Calculated Property | |
| McVol | 110.780 | ml/mol | McGowan Calculated Property |
| Pc | 10918.83 | kPa | Joback Calculated Property |
| Inp | [1728.00; 1728.00] |
|
|
| Inp | 1728.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Tboil | 774.15 | K | Joback Calculated Property |
| Tc | 1010.28 | K | Joback Calculated Property |
| Tfus | 640.98 | K | Joback Calculated Property |
| Vc | 0.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.19; 339.13] | J/mol×K | [774.15; 1010.28] |
|
| Cp,gas | 299.19 | J/mol×K | 774.15 | Joback Calculated Property |
| Cp,gas | 304.89 | J/mol×K | 813.51 | Joback Calculated Property |
| Cp,gas | 310.73 | J/mol×K | 852.86 | Joback Calculated Property |
| Cp,gas | 316.89 | J/mol×K | 892.22 | Joback Calculated Property |
| Cp,gas | 323.55 | J/mol×K | 931.57 | Joback Calculated Property |
| Cp,gas | 330.91 | J/mol×K | 970.93 | Joback Calculated Property |
| Cp,gas | 339.13 | J/mol×K | 1010.28 | Joback Calculated Property |
| η | [2.2764543e-08; 0.0000004] | Pa×s | [640.98; 774.15] |
|
| η | 0.0000004 | Pa×s | 640.98 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 663.17 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 685.37 | Joback Calculated Property |
| η | 8.1649065e-08 | Pa×s | 707.57 | Joback Calculated Property |
| η | 5.1976473e-08 | Pa×s | 729.76 | Joback Calculated Property |
| η | 3.3981406e-08 | Pa×s | 751.95 | Joback Calculated Property |
| η | 2.2764543e-08 | Pa×s | 774.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trihydroxybenzoic acid.
Sources
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