- InChI
- InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
- InChI Key
- ZBCATMYQYDCTIZ-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- Cc1ccc(O)c(O)c1
- Molecular Weight1
- 124.14
- CAS
- 452-86-8
- Other Names
-
- 4-Methylcatechol
- 3,4-Dihydroxytoluene
- Homocatechol
- Homopyrocatechol
- 2-Hydroxy-4-methylphenol
- 4-Methyl-1,2-benzenediol
- 4-Methyl-1,2-dihydroxybenzene
- p-Methylpyrocatechol
- 4-Methylpyrocatechol
- Pyrocatechol, 4-methyl-
- Toluene-3,4-diol
- 1,2-Dihydroxy-4-methylbenzene
- 4-Methylbenzene-1,2-diol
- 1-Methyl-3,4-dihydroxybenzene
- NSC 17489
- p-Methylcatechol
- 4-Methyl-1,2-benzenediol (4-methylpyrocatechol)
- ω : Acentric Factor.
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.6266 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3504.60 ± 0.60 | kJ/mol | NIST |
| ΔfG° | -188.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.40 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | -393.30 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 19.49 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [94.90; 94.90] | kJ/mol |
|
| ΔsubH° | 94.90 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 94.90 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 94.90 | kJ/mol | NIST |
| ΔvapH° | 88.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.82 | 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 |
| Inp | [1293.00; 1295.10] |
|
|
| Inp | 1295.10 | NIST | |
| Inp | 1293.60 | NIST | |
| Inp | 1293.00 | NIST | |
| I | [2727.00; 2727.00] |
|
|
| I | 2727.00 | NIST | |
| I | 2727.00 | NIST | |
| Tboil | 524.20 | K | NIST |
| Tc | 754.99 | K | Relay (1.0) Calculated Property |
| Tfus | 368.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.320 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 90.00 | kJ/mol | 401.00 | 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 | [0.0004561; 0.0000135] | Pa×s | [418.51; 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 | |||
| Temperature range, min. | 418.51 | |||
| Temperature range, max. | 553.80 | |||
| η | 0.0004561 | Pa×s | 418.51 | Calculated Property |
| η | 0.0002768 | Pa×s | 433.54 | Calculated Property |
| η | 0.0001737 | Pa×s | 448.57 | Calculated Property |
| η | 0.0001123 | Pa×s | 463.61 | Calculated Property |
| η | 0.0000747 | Pa×s | 478.64 | Calculated Property |
| η | 0.0000509 | Pa×s | 493.67 | Calculated Property |
| η | 0.0000355 | Pa×s | 508.70 | Calculated Property |
| η | 0.0000252 | Pa×s | 523.73 | Calculated Property |
| η | 0.0000183 | Pa×s | 538.77 | Calculated Property |
| η | 0.0000135 | Pa×s | 553.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenediol, 4-methyl-.
Sources
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