- InChI
- InChI=1S/C9H7N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1H2
- InChI Key
- RLFXJQPKMZNLMP-UHFFFAOYSA-N
- Formula
- C9H7N
- SMILES
- C=C(C#N)c1ccccc1
- Molecular Weight1
- 129.16
- CAS
- 495-10-3
- Other Names
-
- Atroponitrile
- «alpha»-Cyanostyrene
- «alpha»-Phenylacrylonitrile
- Acrylonitrile, 2-phenyl-
- 2-Phenylacrylonitrile
- Benzeneacetonitrile, alpha-methylene-
- 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).
- 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 | 0.4177 | Relay (1.0) Calculated Property | |
| ΔfG° | 349.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 326.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.223 | Crippen Calculated Property | |
| McVol | 110.990 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Tboil | 482.28 | K | Relay (1.0) Calculated Property |
| Tc | 733.87 | K | Relay (1.0) Calculated Property |
| Tfus | 314.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.46; 279.66] | J/mol×K | [530.64; 767.86] | 
|
| Cp,gas | 225.46 | J/mol×K | 530.64 | Joback Calculated Property |
| Cp,gas | 236.37 | J/mol×K | 570.18 | Joback Calculated Property |
| Cp,gas | 246.46 | J/mol×K | 609.71 | Joback Calculated Property |
| Cp,gas | 255.79 | J/mol×K | 649.25 | Joback Calculated Property |
| Cp,gas | 264.40 | J/mol×K | 688.79 | Joback Calculated Property |
| Cp,gas | 272.34 | J/mol×K | 728.32 | Joback Calculated Property |
| Cp,gas | 279.66 | J/mol×K | 767.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetonitrile, «alpha»-methylene-.
Sources
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