- InChI
- InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
- InChI Key
- OQRMWUNUKVUHQO-UHFFFAOYSA-N
- Formula
- C12H9N
- SMILES
- N#CCc1cccc2ccccc12
- Molecular Weight1
- 167.21
- CAS
- 132-75-2
- Other Names
-
- «alpha»-Naphthylacetonitrile
- 1-Naphthylacetonitrile
- «alpha»-(1-naphthyl)acetonitrile
- Acetonitrile, (1-naphthyl)-
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 392.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 290.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 2.906 | Crippen Calculated Property | |
| McVol | 138.100 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Tboil | 626.68 | K | Joback Calculated Property |
| Tc | 872.33 | K | Joback Calculated Property |
| Tfus | 361.63 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.29; 380.46] | J/mol×K | [626.68; 872.33] | 
|
| Cp,gas | 321.29 | J/mol×K | 626.68 | Joback Calculated Property |
| Cp,gas | 333.25 | J/mol×K | 667.62 | Joback Calculated Property |
| Cp,gas | 344.26 | J/mol×K | 708.56 | Joback Calculated Property |
| Cp,gas | 354.40 | J/mol×K | 749.50 | Joback Calculated Property |
| Cp,gas | 363.75 | J/mol×K | 790.45 | Joback Calculated Property |
| Cp,gas | 372.41 | J/mol×K | 831.39 | Joback Calculated Property |
| Cp,gas | 380.46 | J/mol×K | 872.33 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 465.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetonitrile.
Sources
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