- InChI
- InChI=1S/C10H16N2O2S/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
- InChI Key
- IDELNEDBPWKHGK-UHFFFAOYSA-N
- Formula
- C10H16N2O2S
- SMILES
- CCC(C)C1(CC)C(=O)NC(=S)NC1=O
- Molecular Weight1
- 228.31
- CAS
- 2095-57-0
- Other Names
-
- 5-(sec-butyl)-5-ethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione
- 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° | 70.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 0.960 | Crippen Calculated Property | |
| McVol | 176.050 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| Inp | 1790.00 | NIST | |
| Tboil | 752.93 | K | Joback Calculated Property |
| Tc | 1014.20 | K | Joback Calculated Property |
| Tfus | 628.91 | K | Joback Calculated Property |
| Vc | 0.646 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.85; 585.20] | J/mol×K | [752.93; 1014.20] | 
|
| Cp,gas | 493.85 | J/mol×K | 752.93 | Joback Calculated Property |
| Cp,gas | 510.56 | J/mol×K | 796.48 | Joback Calculated Property |
| Cp,gas | 526.56 | J/mol×K | 840.02 | Joback Calculated Property |
| Cp,gas | 541.93 | J/mol×K | 883.57 | Joback Calculated Property |
| Cp,gas | 556.77 | J/mol×K | 927.11 | Joback Calculated Property |
| Cp,gas | 571.16 | J/mol×K | 970.66 | Joback Calculated Property |
| Cp,gas | 585.20 | J/mol×K | 1014.20 | Joback Calculated Property |
Similar Compounds
Sources
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