- InChI
- InChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,7-8H,1-4H3/t7-,8-/m0/s1
- InChI Key
- FVCWUBASYJVIEJ-YUMQZZPRSA-N
- Formula
- C8H15NS
- SMILES
- CC1=NC(C(C)C)SC1C
- Molecular Weight1
- 157.28
- 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.
- I : 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° | 219.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -11.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.565 | Crippen Calculated Property | |
| McVol | 134.750 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Inp | [1169.00; 1175.00] |
|
|
| Inp | 1175.00 | NIST | |
| Inp | 1169.00 | NIST | |
| I | 1518.00 | NIST | |
| Tboil | 498.28 | K | Joback Calculated Property |
| Tc | 725.54 | K | Joback Calculated Property |
| Tfus | 339.85 | K | Joback Calculated Property |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.24; 399.95] | J/mol×K | [498.28; 725.54] |
|
| Cp,gas | 308.24 | J/mol×K | 498.28 | Joback Calculated Property |
| Cp,gas | 325.76 | J/mol×K | 536.16 | Joback Calculated Property |
| Cp,gas | 342.38 | J/mol×K | 574.03 | Joback Calculated Property |
| Cp,gas | 358.10 | J/mol×K | 611.91 | Joback Calculated Property |
| Cp,gas | 372.93 | J/mol×K | 649.78 | Joback Calculated Property |
| Cp,gas | 386.88 | J/mol×K | 687.66 | Joback Calculated Property |
| Cp,gas | 399.95 | J/mol×K | 725.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-dimethyl-2-isopropyl-3-thiazoline, trans.
Sources
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