- 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
- CAS
- 16000-39-8
- Other Names
-
- 1-Cyano-2-methoxynaphthalene
- 2-Methoxy-1-naphthalenecarbonitrile
- 2-Methoxy-1-naphthonitrile
- 1-Naphthonitrile, 2-methoxy-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 278.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 146.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 143.970 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Tboil | 654.08 | K | Joback Calculated Property |
| Tc | 896.70 | K | Joback Calculated Property |
| Tfus | 396.38 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
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
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