- InChI
- InChI=1S/C10H16N2O4/c1-3-6(13)5-10(4-2)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16)
- InChI Key
- DFSRCCCREWOIAC-UHFFFAOYSA-N
- Formula
- C10H16N2O4
- SMILES
- CCC(O)CC1(CC)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 228.25
- 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° | -279.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.68 | kJ/mol | Joback Calculated Property |
| log10WS | -1.72 | Crippen Calculated Property | |
| logPoct/wat | -0.090 | Crippen Calculated Property | |
| McVol | 171.440 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Inp | [1940.00; 1940.00] |
|
|
| Inp | 1940.00 | NIST | |
| Inp | 1940.00 | NIST | |
| Tboil | 840.29 | K | Joback Calculated Property |
| Tc | 1077.22 | K | Joback Calculated Property |
| Tfus | 694.28 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.03; 628.91] | J/mol×K | [840.29; 1077.22] |
|
| Cp,gas | 551.03 | J/mol×K | 840.29 | Joback Calculated Property |
| Cp,gas | 566.02 | J/mol×K | 879.78 | Joback Calculated Property |
| Cp,gas | 580.20 | J/mol×K | 919.27 | Joback Calculated Property |
| Cp,gas | 593.57 | J/mol×K | 958.75 | Joback Calculated Property |
| Cp,gas | 606.14 | J/mol×K | 998.24 | Joback Calculated Property |
| Cp,gas | 617.92 | J/mol×K | 1037.73 | Joback Calculated Property |
| Cp,gas | 628.91 | J/mol×K | 1077.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butobarbital M (OH).
Sources
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