- InChI
- InChI=1S/C4H7NS/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
- InChI Key
- IMWUREPEYPRYOR-UHFFFAOYSA-N
- Formula
- C4H7NS
- SMILES
- S=C1CCCN1
- Molecular Weight1
- 101.17
- CAS
- 2295-35-4
- Other Names
-
- «gamma»-Butyrothiolactam
- Thiobutyrolactam
- Thiopyrrolidone
- 2-Pyrrolethione, tetrahydro-,
- Tetrahydro-2-pyrrolethione
- 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).
- 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° | 205.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.30 | kJ/mol | Joback Calculated Property |
| IE | 8.14 | eV | NIST |
| log10WS | -1.43 | Crippen Calculated Property | |
| logPoct/wat | 0.697 | Crippen Calculated Property | |
| McVol | 78.390 | ml/mol | McGowan Calculated Property |
| Pc | 5917.16 | kPa | Joback Calculated Property |
| Tboil | 432.06 | K | Joback Calculated Property |
| Tc | 668.83 | K | Joback Calculated Property |
| Tfus | 318.68 | K | Joback Calculated Property |
| Vc | 0.277 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.77; 182.75] | J/mol×K | [432.06; 668.83] | 
|
| Cp,gas | 133.77 | J/mol×K | 432.06 | Joback Calculated Property |
| Cp,gas | 143.54 | J/mol×K | 471.52 | Joback Calculated Property |
| Cp,gas | 152.60 | J/mol×K | 510.98 | Joback Calculated Property |
| Cp,gas | 161.01 | J/mol×K | 550.45 | Joback Calculated Property |
| Cp,gas | 168.81 | J/mol×K | 589.91 | Joback Calculated Property |
| Cp,gas | 176.04 | J/mol×K | 629.37 | Joback Calculated Property |
| Cp,gas | 182.75 | J/mol×K | 668.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyrrolidinethione.
Sources
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