- InChI
- InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2
- InChI Key
- ZRWMAMOBIQQJSA-UHFFFAOYSA-N
- Formula
- C6H7N
- SMILES
- C=C1CC(C#N)C1
- Molecular Weight1
- 93.13
- CAS
- 15760-35-7
- Other Names
-
- Cyclobutanecarbonitrile,3-methylene-,
- 3-Methylenecyclobutane-carbonitrile
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3569.40 ± 2.10 | kJ/mol | NIST |
| ΔfH°gas | 252.40 | kJ/mol | NIST |
| ΔfH°liquid | 207.90 | kJ/mol | NIST |
| ΔfusH° | 7.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.50; 44.56] | kJ/mol |
|
| ΔvapH° | 44.56 | kJ/mol | NIST |
| ΔvapH° | 44.50 | kJ/mol | NIST |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.476 | Crippen Calculated Property | |
| McVol | 81.620 | ml/mol | McGowan Calculated Property |
| Tboil | 424.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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,liquid | 190.90 | J/mol×K | 297.00 | NIST |
| ΔvapH | 45.90 | kJ/mol | 391.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [102.31; 254.96] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.86400e+01 | |||
| Coefficient B | 5.32400e-01 | |||
| Coefficient C | -3.53000e-04 | |||
| Coefficient D | 9.42000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 102.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 129.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 153.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 174.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 193.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 209.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 223.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 235.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 254.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylenecyclobutanenitrile.
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
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