- InChI
- InChI=1S/C5H9NOS/c1-4(7)5-6-2-3-8-5/h4,7H,2-3H2,1H3
- InChI Key
- IOZOUUUQYPXUAJ-UHFFFAOYSA-N
- Formula
- C5H9NOS
- SMILES
- CC(O)C1=NCCS1
- Molecular Weight1
- 131.20
- 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 | 0.4878 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.512 | Crippen Calculated Property | |
| McVol | 98.350 | ml/mol | McGowan Calculated Property |
| Pc | 5335.72 | kPa | Joback Calculated Property |
| I | 1909.00 | NIST | |
| Tboil | 481.84 | K | Relay (1.0) Calculated Property |
| Tc | 732.35 | K | Relay (1.0) Calculated Property |
| Tfus | 326.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.22; 281.30] | J/mol×K | [531.16; 752.58] | 
|
| Cp,gas | 225.22 | J/mol×K | 531.16 | Joback Calculated Property |
| Cp,gas | 236.14 | J/mol×K | 568.06 | Joback Calculated Property |
| Cp,gas | 246.41 | J/mol×K | 604.97 | Joback Calculated Property |
| Cp,gas | 256.05 | J/mol×K | 641.87 | Joback Calculated Property |
| Cp,gas | 265.06 | J/mol×K | 678.77 | Joback Calculated Property |
| Cp,gas | 273.47 | J/mol×K | 715.68 | Joback Calculated Property |
| Cp,gas | 281.30 | J/mol×K | 752.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(1-hydroxyethyl)-4,5-dihydrothiazole.
Sources
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