- 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
- CAS
- 4426-11-3
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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°liquid | -3071.00 ± 1.10 | kJ/mol | NIST |
| ΔfG° | 173.05 | kJ/mol | Joback Calculated Property |
| 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 |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 71.830 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Tboil | 422.70 | K | NIST |
| Tc | 642.75 | K | Joback Calculated Property |
| Tfus | 225.52 | K | Joback Calculated Property |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.27; 184.69] | J/mol×K | [426.89; 642.75] |
|
| Cp,gas | 134.27 | J/mol×K | 426.89 | Joback Calculated Property |
| Cp,gas | 144.10 | J/mol×K | 462.87 | Joback Calculated Property |
| Cp,gas | 153.32 | J/mol×K | 498.84 | Joback Calculated Property |
| Cp,gas | 161.95 | J/mol×K | 534.82 | Joback Calculated Property |
| Cp,gas | 170.04 | J/mol×K | 570.80 | Joback Calculated Property |
| Cp,gas | 177.61 | J/mol×K | 606.77 | Joback Calculated Property |
| Cp,gas | 184.69 | J/mol×K | 642.75 | 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
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