- 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)
- 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).
- 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 |
|---|---|---|---|
| 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° | 59.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.04 | Crippen 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 | 790.85 | K | Joback Calculated Property |
| Tfus | 418.51 | K | Joback Calculated Property |
| Vc | 0.252 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.69; 272.32] | J/mol×K | [547.48; 790.85] |
|
| Cp,gas | 226.69 | J/mol×K | 547.48 | Joback Calculated Property |
| Cp,gas | 235.94 | J/mol×K | 588.04 | Joback Calculated Property |
| Cp,gas | 244.34 | J/mol×K | 628.60 | Joback Calculated Property |
| Cp,gas | 252.03 | J/mol×K | 669.16 | Joback Calculated Property |
| Cp,gas | 259.16 | J/mol×K | 709.73 | Joback Calculated Property |
| Cp,gas | 265.88 | J/mol×K | 750.29 | Joback Calculated Property |
| Cp,gas | 272.32 | J/mol×K | 790.85 | Joback Calculated Property |
| η | [0.0000153; 0.0004561] | Pa×s | [418.51; 547.48] |
|
| η | 0.0004561 | Pa×s | 418.51 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 440.00 | Joback Calculated Property |
| η | 0.0001192 | Pa×s | 461.50 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 483.00 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 504.49 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 525.99 | Joback Calculated Property |
| η | 0.0000153 | Pa×s | 547.48 | Joback Calculated Property |
| ΔvapH | 90.00 | kJ/mol | 401.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Benzenediol, 4-methyl-.
Sources
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