- InChI
- InChI=1S/C6H11NS/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3
- InChI Key
- RHYWBMKYLKNBET-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CC1=NC(C)(C)CS1
- Molecular Weight1
- 129.22
- CAS
- 4145-94-2
- Other Names
-
- 2,4,4-Trimethyl-delta
- 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).
- 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° | 207.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 71.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.88 | Crippen Calculated Property | |
| logPoct/wat | 1.930 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 4146.27 | kPa | Joback Calculated Property |
| Tboil | 457.87 | K | Joback Calculated Property |
| Tc | 698.22 | K | Joback Calculated Property |
| Tfus | 360.45 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.48; 294.75] | J/mol×K | [457.87; 698.22] | 
|
| Cp,gas | 221.48 | J/mol×K | 457.87 | Joback Calculated Property |
| Cp,gas | 236.01 | J/mol×K | 497.93 | Joback Calculated Property |
| Cp,gas | 249.45 | J/mol×K | 537.99 | Joback Calculated Property |
| Cp,gas | 261.91 | J/mol×K | 578.05 | Joback Calculated Property |
| Cp,gas | 273.54 | J/mol×K | 618.11 | Joback Calculated Property |
| Cp,gas | 284.44 | J/mol×K | 658.16 | Joback Calculated Property |
| Cp,gas | 294.75 | J/mol×K | 698.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,4-Trimethyl-delta^2-thiazoline.
Sources
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