- InChI
- InChI=1S/C13H7N/c14-8-11-7-10-5-1-3-9-4-2-6-12(11)13(9)10/h1-7H
- InChI Key
- SGMUADOXMCAHTK-UHFFFAOYSA-N
- Formula
- C13H7N
- SMILES
- N#CC1=Cc2cccc3cccc1c23
- Molecular Weight1
- 177.20
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.5064 | Relay (1.0) Calculated Property | |
| ΔfG° | 492.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 423.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.217 | Crippen Calculated Property | |
| McVol | 137.030 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Inp | 302.00 | NIST | |
| Tboil | 619.50 | K | Relay (1.0) Calculated Property |
| Tc | 926.70 | K | Relay (1.0) Calculated Property |
| Tfus | 371.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.13; 373.86] | J/mol×K | [665.82; 919.15] | 
|
| Cp,gas | 323.13 | J/mol×K | 665.82 | Joback Calculated Property |
| Cp,gas | 333.10 | J/mol×K | 708.04 | Joback Calculated Property |
| Cp,gas | 342.26 | J/mol×K | 750.26 | Joback Calculated Property |
| Cp,gas | 350.77 | J/mol×K | 792.48 | Joback Calculated Property |
| Cp,gas | 358.78 | J/mol×K | 834.70 | Joback Calculated Property |
| Cp,gas | 366.42 | J/mol×K | 876.92 | Joback Calculated Property |
| Cp,gas | 373.86 | J/mol×K | 919.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acenaphthylene-1-carbonitrile.
Sources
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