- InChI
- InChI=1S/C11H14N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h4-5,7H,1-2,6H2,3H3,(H2,12,13,14,15,16)
- InChI Key
- DMEKNBFGYSDJIZ-UHFFFAOYSA-N
- Formula
- C11H14N2O3
- SMILES
-
C=CCC(C)C1(C=C)C(=O)NC(=O)NC1=
O - Molecular Weight1
- 222.24
- CAS
- 131147-55-2
- Other Names
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethenyl-5-(1-methyl-3-butenyl)-
- Vinylbital M (OH, -H2O)
- 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° | 41.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 0.737 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | [1995.00; 1995.00] |
|
|
| Inp | 1995.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Tboil | 764.35 | K | Joback Calculated Property |
| Tc | 1026.96 | K | Joback Calculated Property |
| Tfus | 641.21 | K | Joback Calculated Property |
| Vc | 0.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.42; 590.50] | J/mol×K | [764.35; 1026.96] |
|
| Cp,gas | 499.42 | J/mol×K | 764.35 | Joback Calculated Property |
| Cp,gas | 516.86 | J/mol×K | 808.12 | Joback Calculated Property |
| Cp,gas | 533.36 | J/mol×K | 851.89 | Joback Calculated Property |
| Cp,gas | 548.95 | J/mol×K | 895.66 | Joback Calculated Property |
| Cp,gas | 563.65 | J/mol×K | 939.42 | Joback Calculated Property |
| Cp,gas | 577.49 | J/mol×K | 983.19 | Joback Calculated Property |
| Cp,gas | 590.50 | J/mol×K | 1026.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Ethenyl-5-(1-methyl-3-butenyl)-hexahydropyrimidine-2,4,6-trione.
Sources
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