- InChI
- InChI=1S/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3
- InChI Key
- HKJVKIURQSVEQB-UHFFFAOYSA-N
- Formula
- C7H11NO
- SMILES
- CC(C)(C=O)CCC#N
- Molecular Weight1
- 125.17
- CAS
- 6140-61-0
- Other Names
-
- Butyraldehyde, 4-cyano-2,2-dimethyl
- 4-formyl-4-methylvaleronitrile
- 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 | 0.4672 | Relay (1.0) Calculated Property | |
| ΔfG° | 44.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.515 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Tboil | 474.94 | K | Relay (1.0) Calculated Property |
| Tc | 672.50 | K | Relay (1.0) Calculated Property |
| Tfus | 307.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.88; 301.63] | J/mol×K | [507.07; 711.25] | 
|
| Cp,gas | 248.88 | J/mol×K | 507.07 | Joback Calculated Property |
| Cp,gas | 259.14 | J/mol×K | 541.10 | Joback Calculated Property |
| Cp,gas | 268.76 | J/mol×K | 575.13 | Joback Calculated Property |
| Cp,gas | 277.79 | J/mol×K | 609.16 | Joback Calculated Property |
| Cp,gas | 286.26 | J/mol×K | 643.19 | Joback Calculated Property |
| Cp,gas | 294.20 | J/mol×K | 677.22 | Joback Calculated Property |
| Cp,gas | 301.63 | J/mol×K | 711.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanenitrile, 4,4-dimethyl-5-oxo-.
Sources
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