- InChI
- InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)
- InChI Key
- UMURLIQHQSKULR-UHFFFAOYSA-N
- Formula
- C3H5NOS
- SMILES
- S=C1NCCO1
- Molecular Weight1
- 103.14
- CAS
- 5840-81-3
- Other Names
-
- Carbamothioic acid, (2-hydroxyethyl)-, «gamma»-lactone
- Oxazolidine-2-thione
- 1,3-Oxazolidine-2-thione
- 2-Mercapto-2-oxazoline
- 2-Thiooxazolidone
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | 111.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.99 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 105.00 ± 4.40 | kJ/mol | NIST |
| ΔvapH° | 41.58 | kJ/mol | Joback Calculated Property |
| IE | [8.37; 8.37] | eV |
|
| IE | 8.37 | eV | NIST |
| IE | 8.37 ± 0.03 | eV | NIST |
| log10WS | -0.60 | Crippen Calculated Property | |
| logPoct/wat | -0.109 | Crippen Calculated Property | |
| McVol | 70.170 | ml/mol | McGowan Calculated Property |
| Pc | 6796.39 | kPa | Joback Calculated Property |
| Tboil | 436.13 | K | Joback Calculated Property |
| Tc | 675.31 | K | Joback Calculated Property |
| Tfus | 333.98 | K | Joback Calculated Property |
| Vc | 0.241 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.58; 160.66] | J/mol×K | [436.13; 675.31] |
|
| Cp,gas | 121.58 | J/mol×K | 436.13 | Joback Calculated Property |
| Cp,gas | 129.44 | J/mol×K | 475.99 | Joback Calculated Property |
| Cp,gas | 136.70 | J/mol×K | 515.86 | Joback Calculated Property |
| Cp,gas | 143.41 | J/mol×K | 555.72 | Joback Calculated Property |
| Cp,gas | 149.62 | J/mol×K | 595.58 | Joback Calculated Property |
| Cp,gas | 155.35 | J/mol×K | 635.44 | Joback Calculated Property |
| Cp,gas | 160.66 | J/mol×K | 675.31 | Joback Calculated Property |
| ΔfusH | 15.90 | kJ/mol | 370.00 | NIST |
| ΔsubH | 104.30 ± 4.40 | kJ/mol | 339.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Oxazolidinethione.
Sources
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