- InChI
- InChI=1S/C13H20O2/c1-11(2)7-8-15-10-12-5-4-6-13(9-12)14-3/h4-6,9,11H,7-8,10H2,1-3H3
- InChI Key
- ABUNQEZVXVZANU-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- COc1cccc(COCCC(C)C)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° | 21.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.258 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Inp | [1560.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Tboil | 534.93 | K | Relay (1.0) Calculated Property |
| Tfus | 233.00 | 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 | [447.97; 537.26] | J/mol×K | [573.10; 771.57] |
|
| Cp,gas | 447.97 | J/mol×K | 573.10 | Joback Calculated Property |
| Cp,gas | 464.84 | J/mol×K | 606.18 | Joback Calculated Property |
| Cp,gas | 480.90 | J/mol×K | 639.26 | Joback Calculated Property |
| Cp,gas | 496.16 | J/mol×K | 672.34 | Joback Calculated Property |
| Cp,gas | 510.64 | J/mol×K | 705.42 | Joback Calculated Property |
| Cp,gas | 524.34 | J/mol×K | 738.49 | Joback Calculated Property |
| Cp,gas | 537.26 | J/mol×K | 771.57 | Joback Calculated Property |
| η | [0.0001177; 0.0018691] | Pa×s | [304.67; 573.10] |
|
| η | 0.0018691 | Pa×s | 304.67 | Joback Calculated Property |
| η | 0.0008777 | Pa×s | 349.41 | Joback Calculated Property |
| η | 0.0004893 | Pa×s | 394.15 | Joback Calculated Property |
| η | 0.0003073 | Pa×s | 438.88 | Joback Calculated Property |
| η | 0.0002103 | Pa×s | 483.62 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 528.36 | Joback Calculated Property |
| η | 0.0001177 | Pa×s | 573.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Methoxyphenyl) methanol, 3-methylbutyl 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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