- InChI
- InChI=1S/C12H19NO3/c1-12(2)6-9(14)8(10(15)7-12)4-3-5-11(13)16/h8H,3-7H2,1-2H3,(H2,13,16)
- InChI Key
- NYTXFBAMIMMEMU-UHFFFAOYSA-N
- Formula
- C12H19NO3
- SMILES
-
CC1(C)CC(=O)C(CCCC(=N)O)C(=O)C
1 - Molecular Weight1
- 225.28
- CAS
- 116373-15-0
- 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).
- 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 | 0.8157 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.266 | Crippen Calculated Property | |
| McVol | 183.770 | ml/mol | McGowan Calculated Property |
| Pc | 2484.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 598.92 | K | Relay (1.0) Calculated Property |
| Tc | 833.49 | K | Relay (1.0) Calculated Property |
| Tfus | 474.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.612 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [64.59; 586.49] | J/mol×K | [100.12; 801.24] | 
|
| Cp,gas | 64.59 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 64.59 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 64.59 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 64.59 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 64.59 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 64.59 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 586.49 | J/mol×K | 801.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanebutyramide, 4,4-dimethyl-2,6-dioxo-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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