- InChI
- InChI=1S/C5H5N/c1-2-3-4-5-6/h2-4H,1H2/b4-3+
- InChI Key
- STSRVFAXSLNLLI-ONEGZZNKSA-N
- Formula
- C5H5N
- SMILES
- C=CC=CC#N
- Molecular Weight1
- 79.10
- CAS
- 2180-69-0
- Other Names
-
- cis 2,4-pentadienenitrile (cis 1-cyano-1,3-butadiene)
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ΔfG° | 292.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 261.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.49 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.252 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Tboil | 416.72 | K | Joback Calculated Property |
| Tc | 621.79 | K | Joback Calculated Property |
| Tfus | 210.57 ± 0.10 | K | NIST |
| Vc | 0.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.01; 155.79] | J/mol×K | [416.72; 621.79] | 
|
| Cp,gas | 122.01 | J/mol×K | 416.72 | Joback Calculated Property |
| Cp,gas | 128.60 | J/mol×K | 450.90 | Joback Calculated Property |
| Cp,gas | 134.77 | J/mol×K | 485.08 | Joback Calculated Property |
| Cp,gas | 140.55 | J/mol×K | 519.26 | Joback Calculated Property |
| Cp,gas | 145.97 | J/mol×K | 553.43 | Joback Calculated Property |
| Cp,gas | 151.04 | J/mol×K | 587.61 | Joback Calculated Property |
| Cp,gas | 155.79 | J/mol×K | 621.79 | Joback Calculated Property |
| ΔvapH | [38.30; 41.40] | kJ/mol | [348.00; 408.00] |
|
| ΔvapH | 40.70 | kJ/mol | 348.00 | NIST |
| ΔvapH | 41.40 | kJ/mol | 350.50 | NIST |
| ΔvapH | 38.30 | kJ/mol | 408.00 | NIST |
Similar Compounds
Find more compounds similar to Cis-1-cyano-1,3-butadiene.
Sources
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