- InChI
- InChI=1S/C4H7NOS/c7-4-5-2-1-3-6-4/h1-3H2,(H,5,7)
- InChI Key
- OCWDJXKSTXCEOU-UHFFFAOYSA-N
- Formula
- C4H7NOS
- SMILES
- SC1=NCCCO1
- Molecular Weight1
- 117.17
- CAS
- 17374-18-4
- Other Names
-
- Tetrahydro-2H-1,3-oxazine-2-thione
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3274 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.693 | Crippen Calculated Property | |
| McVol | 84.260 | ml/mol | McGowan Calculated Property |
| Pc | 6037.30 | kPa | Joback Calculated Property |
| Inp | 1115.00 | NIST | |
| Tboil | 467.71 | K | Relay (1.0) Calculated Property |
| Tc | 757.27 | K | Relay (1.0) Calculated Property |
| Tfus | 400.20 | K | Knowledge of a Molecule: An Experimental and Theoretical Study of the Structure and Enthalpy of Formation of Tetrahydro-2H-1,3-oxazine-2-thione |
| Vc | 0.276 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.20; 231.43] | J/mol×K | [462.79; 719.64] | 
|
| Cp,gas | 168.20 | J/mol×K | 462.79 | Joback Calculated Property |
| Cp,gas | 180.59 | J/mol×K | 505.60 | Joback Calculated Property |
| Cp,gas | 192.24 | J/mol×K | 548.41 | Joback Calculated Property |
| Cp,gas | 203.16 | J/mol×K | 591.22 | Joback Calculated Property |
| Cp,gas | 213.33 | J/mol×K | 634.02 | Joback Calculated Property |
| Cp,gas | 222.76 | J/mol×K | 676.83 | Joback Calculated Property |
| Cp,gas | 231.43 | J/mol×K | 719.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetrahydro-1,3-oxazine-2-thione.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Knowledge of a Molecule: An Experimental and Theoretical Study of the Structure and Enthalpy of Formation of Tetrahydro-2H-1,3-oxazine-2-thione
- Joback Method
- McGowan Method
- NIST Webbook
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