- InChI
- InChI=1S/C12H18O2/c1-4-10(2)14-9-11-6-5-7-12(8-11)13-3/h5-8,10H,4,9H2,1-3H3
- InChI Key
- CJYHMKKFGIKTRT-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CCC(C)OCc1cccc(OC)c1
- Molecular Weight1
- 194.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 19.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Inp | 1454.00 | NIST | |
| Tboil | 515.16 | K | Relay (1.0) Calculated Property |
| Tc | 722.32 | K | Relay (1.0) Calculated Property |
| Tfus | 225.35 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [398.96; 484.71] | J/mol×K | [550.22; 751.54] | 
|
| Cp,gas | 398.96 | J/mol×K | 550.22 | Joback Calculated Property |
| Cp,gas | 415.13 | J/mol×K | 583.77 | Joback Calculated Property |
| Cp,gas | 430.53 | J/mol×K | 617.33 | Joback Calculated Property |
| Cp,gas | 445.19 | J/mol×K | 650.88 | Joback Calculated Property |
| Cp,gas | 459.10 | J/mol×K | 684.43 | Joback Calculated Property |
| Cp,gas | 472.28 | J/mol×K | 717.99 | Joback Calculated Property |
| Cp,gas | 484.71 | J/mol×K | 751.54 | Joback Calculated Property |
| η | [0.0001286; 0.0019359] | Pa×s | [293.40; 550.22] |
|
| η | 0.0019359 | Pa×s | 293.40 | Joback Calculated Property |
| η | 0.0009240 | Pa×s | 336.20 | Joback Calculated Property |
| η | 0.0005212 | Pa×s | 379.01 | Joback Calculated Property |
| η | 0.0003302 | Pa×s | 421.81 | Joback Calculated Property |
| η | 0.0002276 | Pa×s | 464.61 | Joback Calculated Property |
| η | 0.0001670 | Pa×s | 507.42 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 550.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Methoxyphenyl) methanol, 1-methylpropyl ether.
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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