- InChI
- InChI=1S/C13H20O2/c1-3-4-5-9-15-11-12-7-6-8-13(10-12)14-2/h6-8,10H,3-5,9,11H2,1-2H3
- InChI Key
- SOMSDAGIKQRSQA-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- CCCCCOCc1cccc(OC)c1
- Molecular Weight1
- 208.30
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 25.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.402 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Inp | [1600.00; 1600.00] |
|
|
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Tboil | 538.27 | K | Relay (1.0) Calculated Property |
| Tfus | 228.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [447.53; 535.09] | J/mol×K | [573.34; 767.84] |
|
| Cp,gas | 447.53 | J/mol×K | 573.34 | Joback Calculated Property |
| Cp,gas | 464.01 | J/mol×K | 605.76 | Joback Calculated Property |
| Cp,gas | 479.72 | J/mol×K | 638.17 | Joback Calculated Property |
| Cp,gas | 494.68 | J/mol×K | 670.59 | Joback Calculated Property |
| Cp,gas | 508.89 | J/mol×K | 703.01 | Joback Calculated Property |
| Cp,gas | 522.36 | J/mol×K | 735.43 | Joback Calculated Property |
| Cp,gas | 535.09 | J/mol×K | 767.84 | Joback Calculated Property |
| η | [0.0001258; 0.0014392] | Pa×s | [319.67; 573.34] |
|
| η | 0.0014392 | Pa×s | 319.67 | Joback Calculated Property |
| η | 0.0007563 | Pa×s | 361.95 | Joback Calculated Property |
| η | 0.0004547 | Pa×s | 404.23 | Joback Calculated Property |
| η | 0.0003010 | Pa×s | 446.50 | Joback Calculated Property |
| η | 0.0002140 | Pa×s | 488.78 | Joback Calculated Property |
| η | 0.0001607 | Pa×s | 531.06 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 573.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Methoxyphenyl) methanol, n-pentyl 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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