- InChI
- InChI=1S/C13H13N/c14-10-13(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
- InChI Key
- OMNFRAFCXNVDLP-UHFFFAOYSA-N
- Formula
- C13H13N
- SMILES
- N#CC(=C1CCCC1)c1ccccc1
- Molecular Weight1
- 183.25
- CAS
- 21713-75-7
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -7199.00 | kJ/mol | NIST |
| ΔfG° | 385.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 236.82 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 225.40 | kJ/mol | NIST |
| ΔfusH° | 16.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.538 | Crippen Calculated Property | |
| McVol | 156.490 | ml/mol | McGowan Calculated Property |
| Pc | 2732.56 | kPa | Joback Calculated Property |
| Tboil | 652.07 | K | Joback Calculated Property |
| Tc | 906.02 | K | Joback Calculated Property |
| Tfus | 339.22 | K | Joback Calculated Property |
| Vc | 0.608 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.18; 470.12] | J/mol×K | [652.07; 906.02] | 
|
| Cp,gas | 394.18 | J/mol×K | 652.07 | Joback Calculated Property |
| Cp,gas | 409.64 | J/mol×K | 694.39 | Joback Calculated Property |
| Cp,gas | 423.83 | J/mol×K | 736.72 | Joback Calculated Property |
| Cp,gas | 436.87 | J/mol×K | 779.04 | Joback Calculated Property |
| Cp,gas | 448.86 | J/mol×K | 821.37 | Joback Calculated Property |
| Cp,gas | 459.91 | J/mol×K | 863.69 | Joback Calculated Property |
| Cp,gas | 470.12 | J/mol×K | 906.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentylidenephenylacetonitrile.
Sources
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