- InChI
- InChI=1S/C6H12OS/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3
- InChI Key
- JTGZVABCBHZNLP-UHFFFAOYSA-N
- Formula
- C6H12OS
- SMILES
- CC(C)C1OCCS1
- Molecular Weight1
- 132.22
- 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° | -12.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.57 | Crippen Calculated Property | |
| logPoct/wat | 1.732 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [967.00; 1024.00] |
|
|
| Inp | 984.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 967.00 | NIST | |
| Tboil | 426.30 | K | Joback Calculated Property |
| Tc | 644.38 | K | Joback Calculated Property |
| Tfus | 263.30 | K | Joback Calculated Property |
| Vc | 0.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.66; 284.90] | J/mol×K | [426.30; 644.38] |
|
| Cp,gas | 210.66 | J/mol×K | 426.30 | Joback Calculated Property |
| Cp,gas | 224.92 | J/mol×K | 462.65 | Joback Calculated Property |
| Cp,gas | 238.39 | J/mol×K | 498.99 | Joback Calculated Property |
| Cp,gas | 251.09 | J/mol×K | 535.34 | Joback Calculated Property |
| Cp,gas | 263.06 | J/mol×K | 571.68 | Joback Calculated Property |
| Cp,gas | 274.32 | J/mol×K | 608.03 | Joback Calculated Property |
| Cp,gas | 284.90 | J/mol×K | 644.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropyl-1,3-oxothiolane.
Sources
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