- InChI
- InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+
- InChI Key
- RAFOHKSPUDGZPR-VOTSOKGWSA-N
- Formula
- C11H16N2O3
- SMILES
- CCC=C(C)C1(CC)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 224.26
- CAS
- 125-42-8
- Other Names
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-1-butenyl)-
- 5-Ethyl-5-(1-methyl-1-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-Ethyl-5-(1-methyl-1-butenyl)barbiturate
- 5-Ethyl-5-(1-methyl-1-butenyl)barbituric acid
- Barbituric acid, 5-ethyl-5-(1-methyl-1-butenyl)-
- Butenemal
- Delvinal
- Devinal
- NSC 117442
- Suppoptanox
- Vinbarbitone
- 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 | -2.31 | Aq. Sol... | |
| logPoct/wat | 1.105 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [1725.00; 1765.00] |
|
|
| Inp | 1755.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Inp | 1755.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Tboil | 775.47 | K | Joback Calculated Property |
| Tc | 1036.79 | K | Joback Calculated Property |
| Tfus | [436.00; 439.00] | K |
|
| Tfus | 439.00 ± 1.00 | K | NIST |
| Tfus | 436.00 ± 4.00 | K | NIST |
| 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 Vinbarbital.
Sources
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