- InChI
- InChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3
- InChI Key
- FOHLKSYCRUXPJC-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CCCC1=NCCS1
- Molecular Weight1
- 129.22
- Other Names
-
- Thiazole, 4,5-dihydro-2-propyl
- 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.
- 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 |
|---|---|---|---|
| ω | 0.3117 | Relay (1.0) Calculated Property | |
| ΔfG° | 220.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 4082.92 | kPa | Joback Calculated Property |
| Inp | [1041.00; 1041.00] |
|
|
| Inp | 1041.00 | NIST | |
| Inp | 1041.00 | NIST | |
| I | [1442.00; 1448.00] |
|
|
| I | 1448.00 | NIST | |
| I | 1442.00 | NIST | |
| I | 1448.00 | NIST | |
| I | 1442.00 | NIST | |
| Tboil | 451.78 | K | Relay (1.0) Calculated Property |
| Tc | 677.30 | K | Relay (1.0) Calculated Property |
| Tfus | 222.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.81; 292.71] | J/mol×K | [462.30; 692.18] |
|
| Cp,gas | 219.81 | J/mol×K | 462.30 | Joback Calculated Property |
| Cp,gas | 233.86 | J/mol×K | 500.61 | Joback Calculated Property |
| Cp,gas | 247.12 | J/mol×K | 538.93 | Joback Calculated Property |
| Cp,gas | 259.61 | J/mol×K | 577.24 | Joback Calculated Property |
| Cp,gas | 271.36 | J/mol×K | 615.56 | Joback Calculated Property |
| Cp,gas | 282.39 | J/mol×K | 653.87 | Joback Calculated Property |
| Cp,gas | 292.71 | J/mol×K | 692.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-propyl-2-thiazoline.
Sources
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