- InChI
- InChI=1S/C3H5NS/c1-2-5-3-4-1/h3H,1-2H2
- InChI Key
- CBDKQYKMCICBOF-UHFFFAOYSA-N
- Formula
- C3H5NS
- SMILES
- C1=NCCS1
- Molecular Weight1
- 87.14
- 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° | 205.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 149.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.15 | kJ/mol | Joback Calculated Property |
| log10WS | -0.52 | Crippen Calculated Property | |
| logPoct/wat | 0.761 | Crippen Calculated Property | |
| McVol | 64.300 | ml/mol | McGowan Calculated Property |
| Pc | 6278.87 | kPa | Joback Calculated Property |
| Inp | 819.00 | NIST | |
| Tboil | 388.68 | K | Joback Calculated Property |
| Tc | 627.15 | K | Joback Calculated Property |
| Tfus | 294.46 | K | Joback Calculated Property |
| Vc | 0.227 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.23; 156.93] | J/mol×K | [388.68; 627.15] | 
|
| Cp,gas | 105.23 | J/mol×K | 388.68 | Joback Calculated Property |
| Cp,gas | 115.34 | J/mol×K | 428.42 | Joback Calculated Property |
| Cp,gas | 124.83 | J/mol×K | 468.17 | Joback Calculated Property |
| Cp,gas | 133.72 | J/mol×K | 507.91 | Joback Calculated Property |
| Cp,gas | 142.02 | J/mol×K | 547.66 | Joback Calculated Property |
| Cp,gas | 149.75 | J/mol×K | 587.40 | Joback Calculated Property |
| Cp,gas | 156.93 | J/mol×K | 627.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiazoline.
Sources
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