- InChI
- InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3
- InChI Key
- LDQHURFLDDRWGZ-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- C=C(C)c1ccc(C)cc1OC
- Molecular Weight1
- 162.23
- CAS
- 39701-08-1
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -74.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.037 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Inp | 1247.20 | NIST | |
| Tboil | 498.38 | K | Relay (1.0) Calculated Property |
| Tc | 707.81 | K | Relay (1.0) Calculated Property |
| Tfus | 265.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [308.07; 384.68] | J/mol×K | [506.70; 717.72] | 
|
| Cp,gas | 308.07 | J/mol×K | 506.70 | Joback Calculated Property |
| Cp,gas | 322.57 | J/mol×K | 541.87 | Joback Calculated Property |
| Cp,gas | 336.36 | J/mol×K | 577.04 | Joback Calculated Property |
| Cp,gas | 349.45 | J/mol×K | 612.21 | Joback Calculated Property |
| Cp,gas | 361.85 | J/mol×K | 647.38 | Joback Calculated Property |
| Cp,gas | 373.59 | J/mol×K | 682.55 | Joback Calculated Property |
| Cp,gas | 384.68 | J/mol×K | 717.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8,9-Dehydrothymol methyl 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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