- InChI
- InChI=1S/C12H9NO/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7H,1H3
- InChI Key
- KPIZWRFKCSLGQK-UHFFFAOYSA-N
- Formula
- C12H9NO
- SMILES
- COc1ccc2ccccc2c1C#N
- Molecular Weight1
- 183.21
- Other Names
-
- 1-Cyano-2-methoxynaphthalene
- 1-Naphthonitrile, 2-methoxy-
- 2-Methoxy-1-naphthalenecarbonitrile
- 2-Methoxy-1-naphthonitrile
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 |
|---|---|---|---|
| ΔfH°gas | 138.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.81 | kJ/mol | Joback Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 143.970 | ml/mol | McGowan Calculated Property |
| Tboil | 620.81 | K | Relay (1.0) Calculated Property |
| Tfus | 361.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 | [342.83; 400.48] | J/mol×K | [654.08; 896.70] | 
|
| Cp,gas | 342.83 | J/mol×K | 654.08 | Joback Calculated Property |
| Cp,gas | 354.36 | J/mol×K | 694.52 | Joback Calculated Property |
| Cp,gas | 365.05 | J/mol×K | 734.95 | Joback Calculated Property |
| Cp,gas | 374.96 | J/mol×K | 775.39 | Joback Calculated Property |
| Cp,gas | 384.13 | J/mol×K | 815.83 | Joback Calculated Property |
| Cp,gas | 392.62 | J/mol×K | 856.27 | Joback Calculated Property |
| Cp,gas | 400.48 | J/mol×K | 896.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthalenecarbonitrile, 2-methoxy-.
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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