- InChI
- InChI=1S/C5H10OS/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
- InChI Key
- XLSCZCCJPDTCGU-UHFFFAOYSA-N
- Formula
- C5H10OS
- SMILES
- CC1(C)OCCS1
- Molecular Weight1
- 118.20
- CAS
- 5684-31-1
- Other Names
-
- 2,2-Dimethyl-1,3-oxathiolane
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -23.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.15 | kJ/mol | Joback Calculated Property |
| log10WS | -1.39 | Crippen Calculated Property | |
| logPoct/wat | 1.486 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 4516.42 | kPa | Joback Calculated Property |
| Inp | [853.00; 853.00] |
|
|
| Inp | 853.00 | NIST | |
| Inp | 853.00 | NIST | |
| Tboil | 404.10 | K | Joback Calculated Property |
| Tc | 629.69 | K | Joback Calculated Property |
| Tfus | 290.93 | K | Joback Calculated Property |
| Vc | 0.322 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.67; 236.79] | J/mol×K | [404.10; 629.69] |
|
| Cp,gas | 172.67 | J/mol×K | 404.10 | Joback Calculated Property |
| Cp,gas | 185.79 | J/mol×K | 441.70 | Joback Calculated Property |
| Cp,gas | 197.77 | J/mol×K | 479.30 | Joback Calculated Property |
| Cp,gas | 208.73 | J/mol×K | 516.89 | Joback Calculated Property |
| Cp,gas | 218.81 | J/mol×K | 554.49 | Joback Calculated Property |
| Cp,gas | 228.12 | J/mol×K | 592.09 | Joback Calculated Property |
| Cp,gas | 236.79 | J/mol×K | 629.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Oxathiolane, 2,2-dimethyl-.
Sources
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