- InChI
- InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3
- InChI Key
- NCCWCZLEACWJIN-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- COC(=O)c1c(C)cc(O)cc1O
- Molecular Weight1
- 182.17
- CAS
- 3187-58-4
- Other Names
-
- «beta»-Resorcylic acid, 6-methyl-, methyl ester
- Methyl o-orsellinate
- Methyl orsellinate
- Methyl 2,4-dihydroxy-6-methylbenzoate
- Orsellinic acid monomethyl ester
- 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° | -415.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen Calculated Property | |
| logPoct/wat | 1.193 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 4945.39 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1684.60] |
|
|
| Inp | 1684.60 | NIST | |
| Inp | 1661.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Tboil | 674.51 | K | Joback Calculated Property |
| Tc | 912.02 | K | Joback Calculated Property |
| Tfus | 525.73 | K | Joback Calculated Property |
| Vc | 0.388 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.94; 396.49] | J/mol×K | [674.51; 912.02] |
|
| Cp,gas | 344.94 | J/mol×K | 674.51 | Joback Calculated Property |
| Cp,gas | 354.52 | J/mol×K | 714.10 | Joback Calculated Property |
| Cp,gas | 363.55 | J/mol×K | 753.68 | Joback Calculated Property |
| Cp,gas | 372.15 | J/mol×K | 793.27 | Joback Calculated Property |
| Cp,gas | 380.44 | J/mol×K | 832.85 | Joback Calculated Property |
| Cp,gas | 388.51 | J/mol×K | 872.44 | Joback Calculated Property |
| Cp,gas | 396.49 | J/mol×K | 912.02 | Joback Calculated Property |
| η | [0.0000026; 0.0000400] | Pa×s | [525.73; 674.51] |
|
| η | 0.0000400 | Pa×s | 525.73 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 550.53 | Joback Calculated Property |
| η | 0.0000137 | Pa×s | 575.32 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 600.12 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 624.92 | Joback Calculated Property |
| η | 0.0000037 | Pa×s | 649.71 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 674.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl ester.
Sources
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