- InChI
- InChI=1S/C11H11N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7H,1-2H3
- InChI Key
- IWOSBVMKLPSAAJ-UHFFFAOYSA-N
- Formula
- C11H11N
- SMILES
- CC(C)=C(C#N)c1ccccc1
- Molecular Weight1
- 157.21
- CAS
- 18670-23-0
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 | 0.4139 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6097.97 | kJ/mol | NIST |
| ΔfG° | 350.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 255.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 197.20 | kJ/mol | NIST |
| ΔfusH° | 17.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.004 | Crippen Calculated Property | |
| McVol | 139.170 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Tboil | 521.13 | K | Relay (1.0) Calculated Property |
| Tc | 756.79 | K | Relay (1.0) Calculated Property |
| Tfus | 338.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.90; 379.66] | J/mol×K | [583.76; 821.58] | 
|
| Cp,gas | 313.90 | J/mol×K | 583.76 | Joback Calculated Property |
| Cp,gas | 327.05 | J/mol×K | 623.40 | Joback Calculated Property |
| Cp,gas | 339.22 | J/mol×K | 663.03 | Joback Calculated Property |
| Cp,gas | 350.50 | J/mol×K | 702.67 | Joback Calculated Property |
| Cp,gas | 360.95 | J/mol×K | 742.31 | Joback Calculated Property |
| Cp,gas | 370.65 | J/mol×K | 781.95 | Joback Calculated Property |
| Cp,gas | 379.66 | J/mol×K | 821.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-phenyl-but-2-enenitrile.
Sources
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