- InChI
- InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2
- InChI Key
- VMUWIDHKAIGONP-UHFFFAOYSA-N
- Formula
- C5H5N
- SMILES
- C#CCCC#N
- Molecular Weight1
- 79.10
- CAS
- 19596-07-7
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 347.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 310.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 0.923 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 406.00 | K | Joback Calculated Property |
| Tc | 611.08 | K | Joback Calculated Property |
| Tfus | 258.07 | K | Joback Calculated Property |
| Vc | 0.303 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.83; 158.68] | J/mol×K | [406.00; 611.08] | 
|
| Cp,gas | 127.83 | J/mol×K | 406.00 | Joback Calculated Property |
| Cp,gas | 133.70 | J/mol×K | 440.18 | Joback Calculated Property |
| Cp,gas | 139.26 | J/mol×K | 474.36 | Joback Calculated Property |
| Cp,gas | 144.53 | J/mol×K | 508.54 | Joback Calculated Property |
| Cp,gas | 149.51 | J/mol×K | 542.72 | Joback Calculated Property |
| Cp,gas | 154.22 | J/mol×K | 576.90 | Joback Calculated Property |
| Cp,gas | 158.68 | J/mol×K | 611.08 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 333.00 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 4-Cyano-1-butyne.
Sources
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