- InChI
- InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
- InChI Key
- GGNQRNBDZQJCCN-UHFFFAOYSA-N
- Formula
- C6H6O3
- SMILES
- Oc1ccc(O)c(O)c1
- Molecular Weight1
- 126.11
- CAS
- 533-73-3
- Other Names
-
- 1,3,4-Benzenetriol
- 2,5-Dihydroxyphenol
- Hydroxyhydroquinone
- 2-Hydroxy-1,4-hydroquinone
- 1,2,4-Trihydroxybenzene
- 1,3,4-Trihydroxybenzene
- Benzene-1,2,4-triol
- Hydroquinone, hydroxy-
- Hydroxyquinol
- Oxyhydrochinon
- Oxyhydroquinone
- NSC 2818
- 2-Hydroxy-p-benzohydroquinone
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔcH°solid | -2654.80 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -342.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.00 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | -563.80 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 23.07 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [119.80; 124.20] | kJ/mol |
|
| ΔsubH° | 124.20 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 119.80 ± 1.20 | kJ/mol | NIST |
| ΔsubH° | 119.80 | kJ/mol | NIST |
| ΔsubH° | 119.80 ± 1.60 | kJ/mol | NIST |
| ΔvapH° | 69.61 | kJ/mol | Joback Calculated Property |
| log10WS | -0.12 | Crippen Calculated Property | |
| logPoct/wat | 0.803 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 9980.03 | kPa | Joback Calculated Property |
| Tboil | 600.24 | K | Joback Calculated Property |
| Tc | 858.52 | K | Joback Calculated Property |
| Tfus | 506.44 | K | Joback Calculated Property |
| Vc | 0.162 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.40; 256.97] | J/mol×K | [600.24; 858.52] |
|
| Cp,gas | 222.40 | J/mol×K | 600.24 | Joback Calculated Property |
| Cp,gas | 229.07 | J/mol×K | 643.29 | Joback Calculated Property |
| Cp,gas | 235.05 | J/mol×K | 686.33 | Joback Calculated Property |
| Cp,gas | 240.59 | J/mol×K | 729.38 | Joback Calculated Property |
| Cp,gas | 245.92 | J/mol×K | 772.43 | Joback Calculated Property |
| Cp,gas | 251.30 | J/mol×K | 815.47 | Joback Calculated Property |
| Cp,gas | 256.97 | J/mol×K | 858.52 | Joback Calculated Property |
| η | [0.0000013; 0.0000185] | Pa×s | [506.44; 600.24] |
|
| η | 0.0000185 | Pa×s | 506.44 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 522.07 | Joback Calculated Property |
| η | 0.0000070 | Pa×s | 537.71 | Joback Calculated Property |
| η | 0.0000045 | Pa×s | 553.34 | Joback Calculated Property |
| η | 0.0000029 | Pa×s | 568.97 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 584.61 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 600.24 | Joback Calculated Property |
| ΔfusH | 28.80 | kJ/mol | 413.20 | NIST |
Similar Compounds
Find more compounds similar to 1,2,4-Benzenetriol.
Sources
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