- InChI
- InChI=1S/C10H16N2O4/c1-4-9(3,16)10(5-2)6(13)11-8(15)12-7(10)14/h16H,4-5H2,1-3H3,(H2,11,12,13,14,15)
- InChI Key
- POJYMHZIXHUWHN-UHFFFAOYSA-N
- Formula
- C10H16N2O4
- SMILES
-
CCC(C)(O)C1(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° | -274.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.77 | 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 | 3620.24 | kPa | Joback Calculated Property |
| Inp | [1940.00; 1940.00] |
|
|
| Inp | 1940.00 | NIST | |
| Inp | 1940.00 | NIST | |
| Tboil | 837.50 | K | Joback Calculated Property |
| Tc | 1081.64 | K | Joback Calculated Property |
| Tfus | 711.70 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.85; 631.37] | J/mol×K | [837.50; 1081.64] |
|
| Cp,gas | 551.85 | J/mol×K | 837.50 | Joback Calculated Property |
| Cp,gas | 566.96 | J/mol×K | 878.19 | Joback Calculated Property |
| Cp,gas | 581.28 | J/mol×K | 918.88 | Joback Calculated Property |
| Cp,gas | 594.85 | J/mol×K | 959.57 | Joback Calculated Property |
| Cp,gas | 607.69 | J/mol×K | 1000.26 | Joback Calculated Property |
| Cp,gas | 619.86 | J/mol×K | 1040.95 | Joback Calculated Property |
| Cp,gas | 631.37 | J/mol×K | 1081.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butalbital M (OH).
Sources
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