- InChI
- InChI=1S/C12H23NO2/c1-9(14)7-10(15)13-12(5,6)8-11(2,3)4/h7-8H2,1-6H3,(H,13,15)
- InChI Key
- ROXIBSLHIBBFKK-UHFFFAOYSA-N
- Formula
- C12H23NO2
- SMILES
- CC(=O)CC(=O)NC(C)(C)CC(C)(C)C
- Molecular Weight1
- 213.32
- CAS
- 116346-20-4
- 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 | 0.5898 | Relay (... Calculated Property | |
| ΔfG° | -112.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.76 | kJ/mol | Relay (... Calculated Property |
| IE | 8.61 | eV | Relay (... Calculated Property |
| log10WS | -2.50 | Relay (... Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 193.060 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Tboil | 527.70 | K | Relay (... Calculated Property |
| Tc | 744.93 | K | Relay (... Calculated Property |
| Tfus | 372.53 | K | Relay (... Calculated Property |
| Vc | 0.681 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.66; 605.09] | J/mol×K | [625.41; 824.40] | 
|
| Cp,gas | 522.66 | J/mol×K | 625.41 | Joback Calculated Property |
| Cp,gas | 538.70 | J/mol×K | 658.57 | Joback Calculated Property |
| Cp,gas | 553.75 | J/mol×K | 691.74 | Joback Calculated Property |
| Cp,gas | 567.85 | J/mol×K | 724.90 | Joback Calculated Property |
| Cp,gas | 581.07 | J/mol×K | 758.07 | Joback Calculated Property |
| Cp,gas | 593.46 | J/mol×K | 791.23 | Joback Calculated Property |
| Cp,gas | 605.09 | J/mol×K | 824.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoacetamide, n-(1,1,3,3-tetramethylbutyl)-.
Sources
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