- InChI
- InChI=1S/C4H8OS/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
- InChI Key
- QNNPPEKCYFEVCF-UHFFFAOYSA-N
- Formula
- C4H8OS
- SMILES
- CC1OCCS1
- Molecular Weight1
- 104.17
- CAS
- 17642-74-9
- Other Names
-
- 1,3-Oxathiolane, 2-methyl-
- 2-Methyl-1,3-oxothiolane
- 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 | 0.2353 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.096 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 4842.69 | kPa | Joback Calculated Property |
| Inp | [807.00; 861.00] |
|
|
| Inp | 822.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 834.00 | NIST | |
| Tboil | 396.61 | K | Relay (1.0) Calculated Property |
| Tc | 609.55 | K | Relay (1.0) Calculated Property |
| Tfus | 215.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.274 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.54; 192.79] | J/mol×K | [380.98; 598.45] |
|
| Cp,gas | 135.54 | J/mol×K | 380.98 | Joback Calculated Property |
| Cp,gas | 146.53 | J/mol×K | 417.23 | Joback Calculated Property |
| Cp,gas | 156.91 | J/mol×K | 453.47 | Joback Calculated Property |
| Cp,gas | 166.70 | J/mol×K | 489.72 | Joback Calculated Property |
| Cp,gas | 175.93 | J/mol×K | 525.96 | Joback Calculated Property |
| Cp,gas | 184.62 | J/mol×K | 562.21 | Joback Calculated Property |
| Cp,gas | 192.79 | J/mol×K | 598.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1,3-oxathiolane.
Sources
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