- InChI
- InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2,4H,3H2,1H3
- InChI Key
- GKNTUAWLGAGFEL-UHFFFAOYSA-N
- Formula
- C4H7NS
- SMILES
- CC1N=CCS1
- Molecular Weight1
- 101.17
- CAS
- 66867-06-9
- 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).
- 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 | 0.2353 | Relay (1.0) Calculated Property | |
| ΔfG° | 205.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 66.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.150 | Crippen Calculated Property | |
| McVol | 78.390 | ml/mol | McGowan Calculated Property |
| Pc | 5168.28 | kPa | Joback Calculated Property |
| I | [1349.00; 1349.00] |
|
|
| I | 1349.00 | NIST | |
| I | 1349.00 | NIST | |
| Tboil | 393.83 | K | Relay (1.0) Calculated Property |
| Tc | 644.05 | K | Relay (1.0) Calculated Property |
| Tfus | 254.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.278 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.92; 204.55] | J/mol×K | [406.89; 641.82] |
|
| Cp,gas | 141.92 | J/mol×K | 406.89 | Joback Calculated Property |
| Cp,gas | 153.97 | J/mol×K | 446.04 | Joback Calculated Property |
| Cp,gas | 165.36 | J/mol×K | 485.20 | Joback Calculated Property |
| Cp,gas | 176.10 | J/mol×K | 524.35 | Joback Calculated Property |
| Cp,gas | 186.21 | J/mol×K | 563.51 | Joback Calculated Property |
| Cp,gas | 195.69 | J/mol×K | 602.66 | Joback Calculated Property |
| Cp,gas | 204.55 | J/mol×K | 641.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-3-thiazoline.
Sources
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