- InChI
- InChI=1S/C6H12OS2/c7-4-6-2-1-3-8-9-5-6/h6-7H,1-5H2
- InChI Key
- VLPCHLOFJAZBQI-UHFFFAOYSA-N
- Formula
- C6H12OS2
- SMILES
- OCC1CCCSSC1
- Molecular Weight1
- 164.29
- 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).
- 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° | -45.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.01 | Crippen Calculated Property | |
| logPoct/wat | 1.770 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 4540.80 | kPa | Joback Calculated Property |
| Tboil | 548.34 | K | Joback Calculated Property |
| Tc | 777.14 | K | Joback Calculated Property |
| Tfus | 388.96 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.74; 344.80] | J/mol×K | [548.34; 777.14] | 
|
| Cp,gas | 275.74 | J/mol×K | 548.34 | Joback Calculated Property |
| Cp,gas | 289.26 | J/mol×K | 586.47 | Joback Calculated Property |
| Cp,gas | 301.94 | J/mol×K | 624.61 | Joback Calculated Property |
| Cp,gas | 313.82 | J/mol×K | 662.74 | Joback Calculated Property |
| Cp,gas | 324.90 | J/mol×K | 700.88 | Joback Calculated Property |
| Cp,gas | 335.23 | J/mol×K | 739.01 | Joback Calculated Property |
| Cp,gas | 344.80 | J/mol×K | 777.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(hydroxymethyl)-1,2-dithiepane.
Sources
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