- InChI
- InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2
- InChI Key
- OYEXEQFKIPJKJK-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- N#CCC1=CCCCC1
- Molecular Weight1
- 121.18
- CAS
- 6975-71-9
- Other Names
-
- Cyclohexenylacetonitrile
- 1-Cyclohexen-1-ylacetonitrile
- 1-Cyclohexenylacetonitrile
- cyclohex-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° | 202.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.400 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Tboil | 512.88 | K | Joback Calculated Property |
| Tc | 739.82 | K | Joback Calculated Property |
| Tfus | 269.81 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.25; 303.66] | J/mol×K | [512.88; 739.82] | 
|
| Cp,gas | 236.25 | J/mol×K | 512.88 | Joback Calculated Property |
| Cp,gas | 249.39 | J/mol×K | 550.70 | Joback Calculated Property |
| Cp,gas | 261.73 | J/mol×K | 588.53 | Joback Calculated Property |
| Cp,gas | 273.29 | J/mol×K | 626.35 | Joback Calculated Property |
| Cp,gas | 284.11 | J/mol×K | 664.17 | Joback Calculated Property |
| Cp,gas | 294.22 | J/mol×K | 701.99 | Joback Calculated Property |
| Cp,gas | 303.66 | J/mol×K | 739.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [384.00; 417.20] | K | [3.30; 12.00] |
|
| Tboilr | 384.00 ± 1.00 | K | 3.30 | NIST |
| Tboilr | 417.20 | K | 12.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Cyclohexene-1-acetonitrile.
Sources
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