- InChI
- InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
- InChI Key
- AMKYESDOVDKZKV-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- Cc1cc(O)cc(O)c1C(=O)O
- Molecular Weight1
- 168.15
- CAS
- 480-64-8
- Other Names
-
- «beta»-Resorcylic acid, 6-methyl-
- o-Orsellinic acid
- Orcinolcarboxylic acid
- Orsellic acid
- Orsellinic acid
- 2,4-Dihydroxy-6-methylbenzenecarboxylic acid
- 2,4-Dihydroxy-6-methylbenzoic acid
- 4,6-Dihydroxy-o-toluic acid
- 4,6-Dihydroxy-2-methylbenzoic acid
- 6-Methyl-«beta»-resorcylic acid
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -455.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Joback Calculated Property |
| log10WS | -1.10 | Crippen Calculated Property | |
| logPoct/wat | 1.104 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Pc | 6751.79 | kPa | Joback Calculated Property |
| Inp | [1745.00; 1745.00] |
|
|
| Inp | 1745.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Tboil | 721.39 | K | Joback Calculated Property |
| Tc | 947.05 | K | Joback Calculated Property |
| Tfus | 553.05 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.00; 353.06] | J/mol×K | [721.39; 947.05] |
|
| Cp,gas | 313.00 | J/mol×K | 721.39 | Joback Calculated Property |
| Cp,gas | 320.01 | J/mol×K | 759.00 | Joback Calculated Property |
| Cp,gas | 326.73 | J/mol×K | 796.61 | Joback Calculated Property |
| Cp,gas | 333.29 | J/mol×K | 834.22 | Joback Calculated Property |
| Cp,gas | 339.78 | J/mol×K | 871.83 | Joback Calculated Property |
| Cp,gas | 346.34 | J/mol×K | 909.44 | Joback Calculated Property |
| Cp,gas | 353.06 | J/mol×K | 947.05 | Joback Calculated Property |
| η | [0.0000005; 0.0000158] | Pa×s | [553.05; 721.39] |
|
| η | 0.0000158 | Pa×s | 553.05 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 581.11 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 609.16 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 637.22 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 665.28 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 693.33 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 721.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,4-dihydroxy-6-methyl-.
Sources
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