- InChI
- InChI=1S/C12H16O4/c1-9(2)8-15-12(13)16-11-7-5-4-6-10(11)14-3/h4-7,9H,8H2,1-3H3
- InChI Key
- ICOZQUXPSNROGX-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
- COc1ccccc1OC(=O)OCC(C)C
- Molecular Weight1
- 224.25
- 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° | -293.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.867 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Inp | 1586.00 | NIST | |
| Tboil | 626.31 | K | Joback Calculated Property |
| Tc | 833.16 | K | Joback Calculated Property |
| Tfus | 365.56 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.46; 521.91] | J/mol×K | [626.31; 833.16] | 
|
| Cp,gas | 445.46 | J/mol×K | 626.31 | Joback Calculated Property |
| Cp,gas | 460.19 | J/mol×K | 660.78 | Joback Calculated Property |
| Cp,gas | 474.13 | J/mol×K | 695.26 | Joback Calculated Property |
| Cp,gas | 487.28 | J/mol×K | 729.73 | Joback Calculated Property |
| Cp,gas | 499.64 | J/mol×K | 764.21 | Joback Calculated Property |
| Cp,gas | 511.18 | J/mol×K | 798.68 | Joback Calculated Property |
| Cp,gas | 521.91 | J/mol×K | 833.16 | Joback Calculated Property |
| η | [0.0001072; 0.0011363] | Pa×s | [365.56; 626.31] |
|
| η | 0.0011363 | Pa×s | 365.56 | Joback Calculated Property |
| η | 0.0006221 | Pa×s | 409.02 | Joback Calculated Property |
| η | 0.0003823 | Pa×s | 452.48 | Joback Calculated Property |
| η | 0.0002559 | Pa×s | 495.93 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 539.39 | Joback Calculated Property |
| η | 0.0001372 | Pa×s | 582.85 | Joback Calculated Property |
| η | 0.0001072 | Pa×s | 626.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxyphenol, isoBOC.
Sources
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