- InChI
- InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
- InChI Key
- BJVVMKUXKQHWJK-UHFFFAOYSA-N
- Formula
- C11H16N2O3
- SMILES
- C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 224.26
- CAS
- 115-44-6
- Other Names
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylpropyl)-5-(2-propenyl)-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methypropyl)-5-(2-propenyl)-
- 5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-Allyl-5-(1-methylpropyl) barbituric acid
- 5-Allyl-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-Allyl-5-sec-butylbarbituric acid
- Barbituric acid, 5-allyl-5-sec-butyl-
- Butalbital
- Latusate
- Lotusate
- Profundol
- WIN 5095
- sec-Butyl allyl barbituric acid
- 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° | -46.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.56 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.02; -2.02] |
|
|
| log10WS | -2.02 | Aq. Sol... | |
| log10WS | -2.02 | Estimat... | |
| logPoct/wat | 0.961 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | [1677.00; 1704.00] |
|
|
| Inp | 1704.00 | NIST | |
| Inp | 1689.00 | NIST | |
| Inp | 1689.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Tboil | 767.67 | K | Joback Calculated Property |
| Tc | 1025.00 | K | Joback Calculated Property |
| Tfus | 642.97 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.76; 618.77] | J/mol×K | [767.67; 1025.00] |
|
| Cp,gas | 524.76 | J/mol×K | 767.67 | Joback Calculated Property |
| Cp,gas | 542.80 | J/mol×K | 810.56 | Joback Calculated Property |
| Cp,gas | 559.87 | J/mol×K | 853.45 | Joback Calculated Property |
| Cp,gas | 575.99 | J/mol×K | 896.34 | Joback Calculated Property |
| Cp,gas | 591.16 | J/mol×K | 939.22 | Joback Calculated Property |
| Cp,gas | 605.41 | J/mol×K | 982.11 | Joback Calculated Property |
| Cp,gas | 618.77 | J/mol×K | 1025.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Talbutal.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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