- InChI
- InChI=1S/C8H15NO2/c1-6(10)5-7(11)9-8(2,3)4/h5H2,1-4H3,(H,9,11)
- InChI Key
- CGGJVHBWBNSMLY-UHFFFAOYSA-N
- Formula
- C8H15NO2
- SMILES
- CC(=O)CC(=O)NC(C)(C)C
- Molecular Weight1
- 157.21
- CAS
- 42222-06-0
- 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 | 0.5219 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.880 | Crippen Calculated Property | |
| McVol | 136.700 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Tboil | 490.13 | K | Relay (1.0) Calculated Property |
| Tc | 698.09 | K | Relay (1.0) Calculated Property |
| Tfus | 352.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.87; 391.47] | J/mol×K | [537.12; 736.00] | 
|
| Cp,gas | 324.87 | J/mol×K | 537.12 | Joback Calculated Property |
| Cp,gas | 337.73 | J/mol×K | 570.27 | Joback Calculated Property |
| Cp,gas | 349.85 | J/mol×K | 603.41 | Joback Calculated Property |
| Cp,gas | 361.25 | J/mol×K | 636.56 | Joback Calculated Property |
| Cp,gas | 371.96 | J/mol×K | 669.71 | Joback Calculated Property |
| Cp,gas | 382.03 | J/mol×K | 702.85 | Joback Calculated Property |
| Cp,gas | 391.47 | J/mol×K | 736.00 | Joback Calculated Property |
Similar Compounds
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Sources
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