- InChI
- InChI=1S/C10H14N2O2S/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h2,4-5H2,1,3H3,(H2,11,12,13,14,15)
- InChI Key
- XMQICEWOKPEQRG-UHFFFAOYSA-N
- Formula
- C10H14N2O2S
- SMILES
- C=C(C)CC1(CC)C(=O)NC(=S)NC1=O
- Molecular Weight1
- 226.29
- CAS
- 115-56-0
- Other Names
-
- 5-Ethyl-5-(2-methylallyl)-2-thiobarbituric acid
- 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(2-methyl-2-propenyl)-2-thioxo-
- Barbituric acid, 5-ethyl-5-(2-methylallyl)-2-thio-
- Mosidal
- V 12
- 5-Ethyldihydro-5-(2-methyl-2-propenyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
- 5-Ethyl-5-(2-methyl-2-propenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- 5-ethyldihydro-5-(2-methylallyl)-2-thioxo-1H,5H-pyrimidine-4,6-dione
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5305 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.880 | Crippen Calculated Property | |
| McVol | 171.750 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Inp | 1736.00 | NIST | |
| Tboil | 588.47 | K | Relay (1.0) Calculated Property |
| Tc | 841.40 | K | Relay (1.0) Calculated Property |
| Tfus | 438.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.10; 556.23] | J/mol×K | [749.93; 1015.84] | 
|
| Cp,gas | 468.10 | J/mol×K | 749.93 | Joback Calculated Property |
| Cp,gas | 484.05 | J/mol×K | 794.25 | Joback Calculated Property |
| Cp,gas | 499.36 | J/mol×K | 838.57 | Joback Calculated Property |
| Cp,gas | 514.13 | J/mol×K | 882.88 | Joback Calculated Property |
| Cp,gas | 528.46 | J/mol×K | 927.20 | Joback Calculated Property |
| Cp,gas | 542.46 | J/mol×K | 971.52 | Joback Calculated Property |
| Cp,gas | 556.23 | J/mol×K | 1015.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methallatal.
Sources
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