- InChI
- InChI=1S/C10H12O4/c1-6-4-7(13-2)5-8(11)9(6)10(12)14-3/h4-5,11H,1-3H3
- InChI Key
- PFVPJOAAHSOENR-UHFFFAOYSA-N
- Formula
- C10H12O4
- SMILES
- COC(=O)c1c(C)cc(OC)cc1O
- Molecular Weight1
- 196.20
- CAS
- 520-43-4
- Other Names
-
- Methyl everninate
- Methyl 2-hydroxy-4-methoxy-6-methylbenzoate
- 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° | -367.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -590.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 1.496 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Inp | [1546.00; 1580.00] |
|
|
| Inp | 1580.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Tboil | 644.17 | K | Joback Calculated Property |
| Tc | 866.56 | K | Joback Calculated Property |
| Tfus | 460.03 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.54; 431.80] | J/mol×K | [644.17; 866.56] |
|
| Cp,gas | 371.54 | J/mol×K | 644.17 | Joback Calculated Property |
| Cp,gas | 383.08 | J/mol×K | 681.23 | Joback Calculated Property |
| Cp,gas | 393.99 | J/mol×K | 718.30 | Joback Calculated Property |
| Cp,gas | 404.28 | J/mol×K | 755.36 | Joback Calculated Property |
| Cp,gas | 413.99 | J/mol×K | 792.43 | Joback Calculated Property |
| Cp,gas | 423.15 | J/mol×K | 829.49 | Joback Calculated Property |
| Cp,gas | 431.80 | J/mol×K | 866.56 | Joback Calculated Property |
| η | [0.0000209; 0.0002824] | Pa×s | [460.03; 644.17] |
|
| η | 0.0002824 | Pa×s | 460.03 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 490.72 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 521.41 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 552.10 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 582.79 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 613.48 | Joback Calculated Property |
| η | 0.0000209 | Pa×s | 644.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester.
Sources
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