- InChI
- InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2
- InChI Key
- UNAQSRLBVVDYGP-UHFFFAOYSA-N
- Formula
- C6H9N
- SMILES
- C=CCCCC#N
- Molecular Weight1
- 95.14
- CAS
- 5048-19-1
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 220.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 123.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.05 | Crippen Calculated Property | |
| logPoct/wat | 1.866 | Crippen Calculated Property | |
| McVol | 92.480 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | [857.90; 857.90] |
|
|
| Inp | 857.90 | NIST | |
| Inp | 857.90 | NIST | |
| Tboil | 435.44 | K | Joback Calculated Property |
| Tc | 628.43 | K | Joback Calculated Property |
| Tfus | 220.61 | K | Joback Calculated Property |
| Vc | 0.379 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.25; 219.88] | J/mol×K | [435.44; 628.43] |
|
| Cp,gas | 174.25 | J/mol×K | 435.44 | Joback Calculated Property |
| Cp,gas | 182.81 | J/mol×K | 467.60 | Joback Calculated Property |
| Cp,gas | 190.97 | J/mol×K | 499.77 | Joback Calculated Property |
| Cp,gas | 198.75 | J/mol×K | 531.93 | Joback Calculated Property |
| Cp,gas | 206.15 | J/mol×K | 564.10 | Joback Calculated Property |
| Cp,gas | 213.19 | J/mol×K | 596.26 | Joback Calculated Property |
| Cp,gas | 219.88 | J/mol×K | 628.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cyano-1-pentene.
Sources
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