- InChI
- InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
- InChI Key
- GYBNBQFUPDFFQX-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- N#CC1CC=CCC1
- Molecular Weight1
- 107.15
- CAS
- 100-45-8
- Other Names
-
- 3-Cyclohexene-1-carbonitrile
- 3-Cyclohexenecarbonitrile
- Tetrahydrobenzonitrile
- 4-Cyanocyclohexene-1
- 4-Cyano-1-cyclohexene
- 1-Cyano-3-cyclohexene
- 3-Cyclohexenyl cyanide
- 3-Cyklohexenylkyanid
- 4-Cyclohexenecarbonitrile
- 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° | 195.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.866 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 480.35 | K | Joback Calculated Property |
| Tc | 709.84 | K | Joback Calculated Property |
| Tfus | 241.78 | K | Joback Calculated Property |
| Vc | 0.372 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.24; 260.88] | J/mol×K | [480.35; 709.84] | 
|
| Cp,gas | 195.24 | J/mol×K | 480.35 | Joback Calculated Property |
| Cp,gas | 208.07 | J/mol×K | 518.60 | Joback Calculated Property |
| Cp,gas | 220.11 | J/mol×K | 556.85 | Joback Calculated Property |
| Cp,gas | 231.38 | J/mol×K | 595.09 | Joback Calculated Property |
| Cp,gas | 241.92 | J/mol×K | 633.34 | Joback Calculated Property |
| Cp,gas | 251.74 | J/mol×K | 671.59 | Joback Calculated Property |
| Cp,gas | 260.88 | J/mol×K | 709.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.50 ± 0.50 | K | 3.70 | NIST |
Similar Compounds
![Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«alpha»,4«alpha»)-.](data:image/png;base64,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)
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