- InChI
- InChI=1S/C10H8N2/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6H2
- InChI Key
- PERNOSOTUDEXCY-UHFFFAOYSA-N
- Formula
- C10H8N2
- SMILES
- N#CCC(C#N)c1ccccc1
- Molecular Weight1
- 156.18
- CAS
- 13706-68-8
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5020 | Relay (1.0) Calculated Property | |
| ΔfG° | 409.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 327.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.207 | Crippen Calculated Property | |
| McVol | 130.760 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Tboil | 533.50 | K | Relay (1.0) Calculated Property |
| Tc | 795.01 | K | Relay (1.0) Calculated Property |
| Tfus | 344.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.09; 356.31] | J/mol×K | [658.60; 900.79] | 
|
| Cp,gas | 307.09 | J/mol×K | 658.60 | Joback Calculated Property |
| Cp,gas | 317.10 | J/mol×K | 698.97 | Joback Calculated Property |
| Cp,gas | 326.32 | J/mol×K | 739.33 | Joback Calculated Property |
| Cp,gas | 334.81 | J/mol×K | 779.70 | Joback Calculated Property |
| Cp,gas | 342.60 | J/mol×K | 820.06 | Joback Calculated Property |
| Cp,gas | 349.75 | J/mol×K | 860.43 | Joback Calculated Property |
| Cp,gas | 356.31 | J/mol×K | 900.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 435.50 ± 2.50 | K | 0.07 | NIST |
Similar Compounds
Find more compounds similar to Phenylsuccinonitrile.
Sources
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