- InChI
- InChI=1S/C11H16N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h5H,4,6H2,1-3H3,(H2,12,13,14,15,16)
- InChI Key
- VDVCBHJNKZNXKT-UHFFFAOYSA-N
- Formula
- C11H16N2O3
- SMILES
- CCC1(CC=C(C)C)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 224.26
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -59.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 1.105 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 775.47 | K | Joback Calculated Property |
| Tc | 1036.79 | K | Joback Calculated Property |
| Tfus | 640.69 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.28; 619.86] | J/mol×K | [775.47; 1036.79] |
|
| Cp,gas | 524.28 | J/mol×K | 775.47 | Joback Calculated Property |
| Cp,gas | 542.41 | J/mol×K | 819.02 | Joback Calculated Property |
| Cp,gas | 559.62 | J/mol×K | 862.58 | Joback Calculated Property |
| Cp,gas | 575.93 | J/mol×K | 906.13 | Joback Calculated Property |
| Cp,gas | 591.38 | J/mol×K | 949.68 | Joback Calculated Property |
| Cp,gas | 606.01 | J/mol×K | 993.24 | Joback Calculated Property |
| Cp,gas | 619.86 | J/mol×K | 1036.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Amobarbital M (OH, -H2O).
Sources
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