- InChI
- InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3
- InChI Key
- RWENJYLCELUBAE-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- COc1cc(C(C)C)cc(OC)c1C
- Molecular Weight1
- 194.27
- Other Names
-
- 2,6-dimethoxycymene
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point 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 | -335.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.136 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Inp | [1396.00; 1405.00] |
|
|
| Inp | 1403.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1403.00 | NIST | |
| Inp | 1405.00 | NIST | |
| I | [1596.00; 1596.00] |
|
|
| I | 1596.00 | NIST | |
| I | 1596.00 | NIST | |
| Tboil | 527.29 | K | Relay (1.0) Calculated Property |
| Tfus | 306.42 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [399.12; 482.76] | J/mol×K | [560.18; 763.57] |
|
| Cp,gas | 399.12 | J/mol×K | 560.18 | Joback Calculated Property |
| Cp,gas | 414.74 | J/mol×K | 594.08 | Joback Calculated Property |
| Cp,gas | 429.70 | J/mol×K | 627.98 | Joback Calculated Property |
| Cp,gas | 443.99 | J/mol×K | 661.88 | Joback Calculated Property |
| Cp,gas | 457.60 | J/mol×K | 695.77 | Joback Calculated Property |
| Cp,gas | 470.53 | J/mol×K | 729.67 | Joback Calculated Property |
| Cp,gas | 482.76 | J/mol×K | 763.57 | Joback Calculated Property |
| η | [0.0001223; 0.0010723] | Pa×s | [318.44; 560.18] |
|
| η | 0.0010723 | Pa×s | 318.44 | Joback Calculated Property |
| η | 0.0006094 | Pa×s | 358.73 | Joback Calculated Property |
| η | 0.0003882 | Pa×s | 399.02 | Joback Calculated Property |
| η | 0.0002686 | Pa×s | 439.31 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 479.60 | Joback Calculated Property |
| η | 0.0001527 | Pa×s | 519.89 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 560.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethoxy-p-cymene.
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
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