- InChI
- InChI=1S/C10H12O3/c1-7-4-5-9(12-3)10(6-7)13-8(2)11/h4-6H,1-3H3
- InChI Key
- JYTWRNUPQPHEEK-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COc1ccc(C)cc1OC(C)=O
- Molecular Weight1
- 180.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -467.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.929 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Inp | 1363.80 | NIST | |
| Tboil | 522.58 | K | Relay (1.0) Calculated Property |
| Tc | 732.30 | K | Relay (1.0) Calculated Property |
| Tfus | 294.93 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.86; 388.35] | J/mol×K | [545.68; 755.72] | 
|
| Cp,gas | 319.86 | J/mol×K | 545.68 | Joback Calculated Property |
| Cp,gas | 332.90 | J/mol×K | 580.69 | Joback Calculated Property |
| Cp,gas | 345.30 | J/mol×K | 615.69 | Joback Calculated Property |
| Cp,gas | 357.05 | J/mol×K | 650.70 | Joback Calculated Property |
| Cp,gas | 368.15 | J/mol×K | 685.71 | Joback Calculated Property |
| Cp,gas | 378.58 | J/mol×K | 720.71 | Joback Calculated Property |
| Cp,gas | 388.35 | J/mol×K | 755.72 | Joback Calculated Property |
| η | [0.0001536; 0.0014081] | Pa×s | [318.48; 545.68] |
|
| η | 0.0014081 | Pa×s | 318.48 | Joback Calculated Property |
| η | 0.0007999 | Pa×s | 356.35 | Joback Calculated Property |
| η | 0.0005066 | Pa×s | 394.21 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 432.08 | Joback Calculated Property |
| η | 0.0002534 | Pa×s | 469.95 | Joback Calculated Property |
| η | 0.0001936 | Pa×s | 507.81 | Joback Calculated Property |
| η | 0.0001536 | Pa×s | 545.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxy-5-methylphenol, acetate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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