- InChI
- InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
- InChI Key
- ZTMADXFOCUXMJE-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- Cc1c(O)cccc1O
- Molecular Weight1
- 124.14
- Other Names
-
- 1,3-Benzenediol, 2-methyl-
- 1,3-dihydroxy-2-methylbenzene
- 2-Methylresorcin
- 2-methylresorcinol
- Toluene-2,6-diol
- resorcinol, 2-methyl-
- ω : Acentric Factor.
- 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).
- 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).
- 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).
- Psub : Sublimation pressure (kPa).
- 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 |
|---|---|---|---|
| ω | 0.5969 | Relay (1.0) Calculated Property | |
| ΔfG° | -188.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.49 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 99.20 ± 2.30 | kJ/mol | NIST |
| ΔvapH° | 73.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.406 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Pc | 6288.83 | kPa | Joback Calculated Property |
| Tboil | 537.20 | K | NIST |
| Tc | 748.41 | K | Relay (1.0) Calculated Property |
| Tfus | 393.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 441.20 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.50; 306.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.52200e+01 | |||
| Coefficient B | 8.99120e-01 | |||
| Coefficient C | -9.00920e-04 | |||
| Coefficient D | 3.63800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 253.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 267.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 292.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 306.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011550; 0.0000135] | Pa×s | [393.15; 553.80] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -2.20976e+01 | |||
| Coefficient B | 6.02854e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 393.15 | |||
| Temperature range, max. | 553.80 | |||
| η | 0.0011550 | Pa×s | 393.15 | Calculated Property |
| η | 0.0005934 | Pa×s | 411.00 | Calculated Property |
| η | 0.0003223 | Pa×s | 428.85 | Calculated Property |
| η | 0.0001838 | Pa×s | 446.70 | Calculated Property |
| η | 0.0001094 | Pa×s | 464.55 | Calculated Property |
| η | 0.0000677 | Pa×s | 482.40 | Calculated Property |
| η | 0.0000433 | Pa×s | 500.25 | Calculated Property |
| η | 0.0000286 | Pa×s | 518.10 | Calculated Property |
| η | 0.0000194 | Pa×s | 535.95 | Calculated Property |
| η | 0.0000135 | Pa×s | 553.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-DIHYDROXYTOLUENE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental standard molar enthalpies of formation of some methylbenzenediol isomers
- Joback Method
- McGowan Method
- NIST Webbook
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