- InChI
- InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h3H,1-2,4-5H2
- InChI Key
- LEWVRAMNXUWSFL-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- N#CCC1=CCCC1
- Molecular Weight1
- 107.16
- Other Names
-
- 1-Cyclopentenylacetonitrile
- (1-Cyclopenten-1-yl)-acetonitrile
- 1-Cyclopentene-1-acetonitrile
- cyclopent-1-ene-1-acetonitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 157.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.010 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Tboil | 470.85 | K | Relay (1.0) Calculated Property |
| Tfus | 226.23 | 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 | [194.81; 251.72] | J/mol×K | [485.73; 707.93] | 
|
| Cp,gas | 194.81 | J/mol×K | 485.73 | Joback Calculated Property |
| Cp,gas | 205.91 | J/mol×K | 522.76 | Joback Calculated Property |
| Cp,gas | 216.32 | J/mol×K | 559.80 | Joback Calculated Property |
| Cp,gas | 226.07 | J/mol×K | 596.83 | Joback Calculated Property |
| Cp,gas | 235.19 | J/mol×K | 633.87 | Joback Calculated Property |
| Cp,gas | 243.73 | J/mol×K | 670.90 | Joback Calculated Property |
| Cp,gas | 251.72 | J/mol×K | 707.93 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 397.20 | K | 13.30 | NIST |
Similar Compounds
Find more compounds similar to Cyclopentene, 1-cyanomethyl-.
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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