- InChI
- InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
- InChI Key
- MXZMACXOMZKYHJ-UHFFFAOYSA-N
- Formula
- C7H11NO
- SMILES
- CC(C)(C)C(=O)CC#N
- Molecular Weight1
- 125.17
- CAS
- 59997-51-2
- Other Names
-
- Pivaloylacetonitrile
- Trimethylacetylacetonitrile
- Pentanenitrile, 4,4-dimethyl-3-oxo-
- 4,4-dimethyl-3-oxovaleronitrile
- 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 | 0.4056 | Relay (... Calculated Property | |
| ΔfG° | 15.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.90 | kJ/mol | Relay (... Calculated Property |
| IE | 9.90 | eV | Relay (... Calculated Property |
| log10WS | -1.03 | Relay (... Calculated Property | |
| logPoct/wat | 1.515 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Tboil | 475.35 | K | Relay (... Calculated Property |
| Tc | 642.58 | K | Relay (... Calculated Property |
| Tfus | 367.92 | K | Relay (... Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.32; 301.47] | J/mol×K | [512.28; 721.65] | 
|
| Cp,gas | 247.32 | J/mol×K | 512.28 | Joback Calculated Property |
| Cp,gas | 257.87 | J/mol×K | 547.17 | Joback Calculated Property |
| Cp,gas | 267.76 | J/mol×K | 582.07 | Joback Calculated Property |
| Cp,gas | 277.03 | J/mol×K | 616.96 | Joback Calculated Property |
| Cp,gas | 285.72 | J/mol×K | 651.86 | Joback Calculated Property |
| Cp,gas | 293.85 | J/mol×K | 686.75 | Joback Calculated Property |
| Cp,gas | 301.47 | J/mol×K | 721.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-Dimethyl-3-oxopentanenitrile.
Sources
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