- InChI
- InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
- InChI Key
- WQGWDDDVZFFDIG-UHFFFAOYSA-N
- Formula
- C6H6O3
- SMILES
- Oc1cccc(O)c1O
- Molecular Weight1
- 126.11
- CAS
- 87-66-1
- Other Names
-
- 1,2,3-TRIHYDROXYBENZENE
- 1,2,3-Trihydroxybenzen
- 2,3-Dihydroxyphenol
- Benzene, 1,2,3-trihydroxy-
- Benzene-1,2,3-triol
- C.I. 76515
- C.I. 76551
- C.I. Oxidation Base 32
- Fouramine Brown AP
- Fouramine base ap
- Fourrine 85
- Fourrine PG
- NSC 5035
- PYROGALLOL
- Phenol
- Piral
- Pyro
- Pyrogallic acid
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | [-2667.40; -2586.00] | kJ/mol |
|
| ΔcH°solid | -2667.40 ± 0.50 | kJ/mol | NIST |
| ΔcH°solid | -2586.00 | kJ/mol | NIST |
| ΔfG° | -342.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.20 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | -551.10 ± 0.90 | kJ/mol | NIST |
| ΔfusH° | 23.07 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [104.00; 116.90] | kJ/mol |
|
| ΔsubH° | 104.00 | kJ/mol | NIST |
| ΔsubH° | 116.90 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 116.90 | kJ/mol | NIST |
| ΔsubH° | 116.90 ± 0.60 | 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 |
| Inp | [1329.00; 1385.70] |
|
|
| Inp | 1385.70 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Tboil | [582.15; 582.20] | K |
|
| Tboil | 582.20 | K | NIST |
| Tboil | 582.15 ± 1.00 | K | NIST |
| Tc | 858.52 | K | Joback Calculated Property |
| Tfus | [398.65; 407.00] | K |
|
| Tfus | 407.00 ± 1.00 | K | NIST |
| Tfus | 398.65 ± 0.50 | K | NIST |
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 600 700 800 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-6 1.00e-5 1.50e-5 2.00e-5 550 600 | ||||
| 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 | [18.55; 25.90] | kJ/mol | [405.60; 407.20] |
|
| ΔfusH | 25.90 | kJ/mol | 405.60 | NIST |
| ΔfusH | 18.55 | kJ/mol | 407.20 | NIST |
| ΔfusH | 18.55 | kJ/mol | 407.20 | NIST |
| ΔsubH | 89.10 | kJ/mol | 387.50 | NIST |
| ΔvapH | 69.50 | kJ/mol | 503.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 444.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.67] | kPa | [435.15; 611.61] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.11663e+01 | |||
| Coefficient B | -1.11494e+04 | |||
| Coefficient C | 9.16120e+01 | |||
| Temperature range, min. | 435.15 | |||
| Temperature range, max. | 611.61 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600 | ||||
| Pvap | 1.00 | kPa | 435.15 | Calculated Property |
| Pvap | 2.14 | kPa | 454.76 | Calculated Property |
| Pvap | 4.34 | kPa | 474.36 | Calculated Property |
| Pvap | 8.39 | kPa | 493.97 | Calculated Property |
| Pvap | 15.54 | kPa | 513.58 | Calculated Property |
| Pvap | 27.70 | kPa | 533.18 | Calculated Property |
| Pvap | 47.67 | kPa | 552.79 | Calculated Property |
| Pvap | 79.46 | kPa | 572.40 | Calculated Property |
| Pvap | 128.62 | kPa | 592.00 | Calculated Property |
| Pvap | 202.67 | kPa | 611.61 | Calculated Property |
| Pvap | [0.15; 8459.39] | kPa | [407.00; 830.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -8.48206e+00 | |||
| Coefficient B | -7.36523e+03 | |||
| Coefficient C | 4.17478e+00 | |||
| Coefficient D | -2.41200e-06 | |||
| Temperature range, min. | 407.00 | |||
| Temperature range, max. | 830.00 | |||
|
T(K) Vapor pressure (kPa) 0 2000 4000 6000 8000 400 600 800 | ||||
| Pvap | 0.15 | kPa | 407.00 | Calculated Property |
| Pvap | 1.40 | kPa | 454.00 | Calculated Property |
| Pvap | 8.71 | kPa | 501.00 | Calculated Property |
| Pvap | 39.68 | kPa | 548.00 | Calculated Property |
| Pvap | 142.07 | kPa | 595.00 | Calculated Property |
| Pvap | 419.78 | kPa | 642.00 | Calculated Property |
| Pvap | 1060.38 | kPa | 689.00 | Calculated Property |
| Pvap | 2351.87 | kPa | 736.00 | Calculated Property |
| Pvap | 4674.49 | kPa | 783.00 | Calculated Property |
| Pvap | 8459.39 | kPa | 830.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Benzenetriol.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.