- InChI
- InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3
- InChI Key
- UUQHKWMIDYRWHH-UHFFFAOYSA-N
- Formula
- C10H12O4
- SMILES
- COC(=O)c1c(C)cc(O)c(C)c1O
- Molecular Weight1
- 196.20
- CAS
- 4707-47-5
- Other Names
-
- 2,4-Dihydroxy-3,6-dimethylbenzoic acid, methyl ester
- Atraric acid
- Methyl 2,4-dihydroxy-3,6-dimethylbenzoate
- Methyl 3,6-dimethyl-«beta»-resorcylate
- Methyl 3,6-dimethyl-«beta»-resorcylate
- Methyl 3,6-dimethylresorcylate
- Methyl «beta»-orcinolcarboxylate
- Methyl «beta»-orcinolcarboxylate
- Veramoss
- «beta»-Resorcylic acid, 3,6-dimethyl-, methyl ester
- «beta»-Resorcylic acid, 3,6-dimethyl-, methyl 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° | -416.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.64 | kJ/mol | Joback Calculated Property |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 1.501 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Inp | [1670.00; 1734.70] |
|
|
| Inp | 1734.70 | NIST | |
| Inp | 1703.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1734.70 | NIST | |
| Tboil | 702.37 | K | Joback Calculated Property |
| Tc | 936.00 | K | Joback Calculated Property |
| Tfus | 419.77 | K | Solubil... |
| Vc | 0.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.81; 448.37] | J/mol×K | [702.37; 936.00] |
|
| Cp,gas | 391.81 | J/mol×K | 702.37 | Joback Calculated Property |
| Cp,gas | 402.15 | J/mol×K | 741.31 | Joback Calculated Property |
| Cp,gas | 411.99 | J/mol×K | 780.25 | Joback Calculated Property |
| Cp,gas | 421.43 | J/mol×K | 819.18 | Joback Calculated Property |
| Cp,gas | 430.57 | J/mol×K | 858.12 | Joback Calculated Property |
| Cp,gas | 439.52 | J/mol×K | 897.06 | Joback Calculated Property |
| Cp,gas | 448.37 | J/mol×K | 936.00 | Joback Calculated Property |
| η | [0.0000018; 0.0000245] | Pa×s | [549.52; 702.37] |
|
| η | 0.0000245 | Pa×s | 549.52 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 575.00 | Joback Calculated Property |
| η | 0.0000089 | Pa×s | 600.47 | Joback Calculated Property |
| η | 0.0000057 | Pa×s | 625.95 | Joback Calculated Property |
| η | 0.0000038 | Pa×s | 651.42 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 676.90 | Joback Calculated Property |
| η | 0.0000018 | Pa×s | 702.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester.
Mixtures
- 1-Butanol + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- Isopropyl Alcohol + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- Ethyl Acetate + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- Acetone + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- Tetrahydrofuran + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- Ethanol + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- 1-Butanol, 3-methyl- + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- 1-Pentanol + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- 1-Propanol + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- Formamide, N,N-dimethyl- + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
- Ethanol + Water + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
Sources
- Crippen Method
- Crippen Method
- Solubility and Thermodynamic Behavior of Veramoss in Different Pure Solvents and {Ethanol + Water} Mixtures from T = 283.15 to 333.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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