- InChI
- InChI=1S/C5H10OS/c1-2-5-6-3-4-7-5/h5H,2-4H2,1H3
- InChI Key
- HUNYQOGBLJVUSK-UHFFFAOYSA-N
- Formula
- C5H10OS
- SMILES
- CCC1OCCS1
- Molecular Weight1
- 118.20
- Other Names
-
- 2-Ethyl-1,3-thioxalane
- 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 | 0.2573 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.486 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Inp | [904.00; 963.00] |
|
|
| Inp | 922.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 937.00 | NIST | |
| Tboil | 419.69 | K | Relay (1.0) Calculated Property |
| Tc | 637.30 | K | Relay (1.0) Calculated Property |
| Tfus | 207.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.326 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.92; 237.10] | J/mol×K | [403.86; 619.14] |
|
| Cp,gas | 171.92 | J/mol×K | 403.86 | Joback Calculated Property |
| Cp,gas | 184.40 | J/mol×K | 439.74 | Joback Calculated Property |
| Cp,gas | 196.21 | J/mol×K | 475.62 | Joback Calculated Property |
| Cp,gas | 207.36 | J/mol×K | 511.50 | Joback Calculated Property |
| Cp,gas | 217.87 | J/mol×K | 547.38 | Joback Calculated Property |
| Cp,gas | 227.78 | J/mol×K | 583.26 | Joback Calculated Property |
| Cp,gas | 237.10 | J/mol×K | 619.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-1,3-oxothiolane.
Sources
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