- InChI
- InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3
- InChI Key
- AEVMBQIIZGKQRB-UHFFFAOYSA-N
- Formula
- C6H9NO
- SMILES
- CC(=O)CCCC#N
- Molecular Weight1
- 111.14
- CAS
- 10412-98-3
- Other Names
-
- Hexanenitrile, 5-oxo-
- 5-oxohexanonitrile
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5093 | Relay (... Calculated Property | |
| ΔfG° | 3.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.60 | kJ/mol | Relay (... Calculated Property |
| IE | 10.36 | eV | Relay (... Calculated Property |
| log10WS | 0.11 | Relay (... Calculated Property | |
| logPoct/wat | 1.269 | Crippen Calculated Property | |
| McVol | 98.350 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 492.03 | K | Relay (... Calculated Property |
| Tc | 669.95 | K | Relay (... Calculated Property |
| Tfus | 291.23 | K | Relay (... Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.55; 248.17] | J/mol×K | [492.63; 692.12] | 
|
| Cp,gas | 202.55 | J/mol×K | 492.63 | Joback Calculated Property |
| Cp,gas | 211.13 | J/mol×K | 525.88 | Joback Calculated Property |
| Cp,gas | 219.30 | J/mol×K | 559.13 | Joback Calculated Property |
| Cp,gas | 227.08 | J/mol×K | 592.38 | Joback Calculated Property |
| Cp,gas | 234.48 | J/mol×K | 625.63 | Joback Calculated Property |
| Cp,gas | 241.50 | J/mol×K | 658.88 | Joback Calculated Property |
| Cp,gas | 248.17 | J/mol×K | 692.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Oxohexanenitrile.
Sources
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