- InChI
- InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2
- InChI Key
- GFBLFDSCAKHHGX-UHFFFAOYSA-N
- Formula
- C5H7N
- SMILES
- N#CC1CCC1
- Molecular Weight1
- 81.12
- Other Names
-
- Cyanocyclobutane
- Cyclobutyl cyanide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3071.00 ± 1.10 | kJ/mol | NIST |
| ΔfH°gas | [143.00; 147.30] | kJ/mol |
|
| ΔfH°gas | 147.30 ± 1.10 | kJ/mol | NIST |
| ΔfH°gas | 143.00 | kJ/mol | NIST |
| ΔfH°liquid | 103.00 | kJ/mol | NIST |
| ΔfusH° | 6.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.00; 44.37] | kJ/mol |
|
| ΔvapH° | 44.37 | kJ/mol | NIST |
| ΔvapH° | 44.34 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 44.30 | kJ/mol | NIST |
| ΔvapH° | 40.00 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 40.00 | kJ/mol | NIST |
| ΔvapH° | 40.00 | kJ/mol | NIST |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 71.830 | ml/mol | McGowan Calculated Property |
| Tboil | 422.70 | K | NIST |
| Tfus | 249.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.33; 184.75] | J/mol×K | [427.09; 643.05] |
|
| Cp,gas | 134.33 | J/mol×K | 427.09 | Joback Calculated Property |
| Cp,gas | 144.16 | J/mol×K | 463.08 | Joback Calculated Property |
| Cp,gas | 153.38 | J/mol×K | 499.08 | Joback Calculated Property |
| Cp,gas | 162.01 | J/mol×K | 535.07 | Joback Calculated Property |
| Cp,gas | 170.10 | J/mol×K | 571.07 | Joback Calculated Property |
| Cp,gas | 177.67 | J/mol×K | 607.06 | Joback Calculated Property |
| Cp,gas | 184.75 | J/mol×K | 643.05 | Joback Calculated Property |
| Cp,liquid | 146.00 | J/mol×K | 297.00 | NIST |
| ΔvapH | [36.88; 39.60] | kJ/mol | [365.00; 422.70] |
|
| ΔvapH | 39.60 | kJ/mol | 365.00 | NIST |
| ΔvapH | 36.88 | kJ/mol | 422.70 | NIST |
Similar Compounds
Find more compounds similar to Cyclobutanecarbonitrile.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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