- InChI
- InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2-3H2,1H3
- InChI Key
- DTYOLYPNFSSEGO-UHFFFAOYSA-N
- Formula
- C4H7NS
- SMILES
- CC1=NCSC1
- Molecular Weight1
- 101.17
- Other Names
-
- 3-Thiazoline, 4-methyl
- 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° | 204.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 117.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.04 | kJ/mol | Joback Calculated Property |
| log10WS | -0.93 | Crippen Calculated Property | |
| logPoct/wat | 1.152 | Crippen Calculated Property | |
| McVol | 78.390 | ml/mol | McGowan Calculated Property |
| Pc | 5304.68 | kPa | Joback Calculated Property |
| Inp | [919.00; 956.00] |
|
|
| Inp | 956.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 936.00 | NIST | |
| Tboil | 416.54 | K | Joback Calculated Property |
| Tc | 653.62 | K | Joback Calculated Property |
| Tfus | 318.25 | K | Joback Calculated Property |
| Vc | 0.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.82; 199.78] | J/mol×K | [416.54; 653.62] |
|
| Cp,gas | 141.82 | J/mol×K | 416.54 | Joback Calculated Property |
| Cp,gas | 152.99 | J/mol×K | 456.05 | Joback Calculated Property |
| Cp,gas | 163.53 | J/mol×K | 495.57 | Joback Calculated Property |
| Cp,gas | 173.48 | J/mol×K | 535.08 | Joback Calculated Property |
| Cp,gas | 182.82 | J/mol×K | 574.59 | Joback Calculated Property |
| Cp,gas | 191.59 | J/mol×K | 614.10 | Joback Calculated Property |
| Cp,gas | 199.78 | J/mol×K | 653.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-3-thiazoline.
Sources
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