- 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
- 107.15
- CAS
- 22734-04-9
- 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).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 205.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 104.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 2.010 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Tboil | 485.73 | K | Joback Calculated Property |
| Tc | 707.93 | K | Joback Calculated Property |
| Tfus | 262.06 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
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 1-Cyclopentylacetonitrile.
Sources
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