- InChI
- InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2
- InChI Key
- JMYWPEQXUQGQNF-UHFFFAOYSA-N
- Formula
- CH2S6
- SMILES
- C1SSSSSS1
- Molecular Weight1
- 206.42
- CAS
- 17233-71-5
- Other Names
-
- 1,2,3,4,5,6-Hexathiepane
- 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 | 0.2256 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 197.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.932 | Crippen Calculated Property | |
| McVol | 112.190 | ml/mol | McGowan Calculated Property |
| Pc | 8463.32 | kPa | Joback Calculated Property |
| Inp | [1697.00; 1697.00] |
|
|
| Inp | 1697.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Tboil | 599.44 | K | Relay (1.0) Calculated Property |
| Tc | 888.42 | K | Relay (1.0) Calculated Property |
| Tfus | 459.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.84; 203.72] | J/mol×K | [537.75; 890.03] |
|
| Cp,gas | 172.84 | J/mol×K | 537.75 | Joback Calculated Property |
| Cp,gas | 179.86 | J/mol×K | 596.46 | Joback Calculated Property |
| Cp,gas | 186.02 | J/mol×K | 655.18 | Joback Calculated Property |
| Cp,gas | 191.42 | J/mol×K | 713.89 | Joback Calculated Property |
| Cp,gas | 196.12 | J/mol×K | 772.60 | Joback Calculated Property |
| Cp,gas | 200.19 | J/mol×K | 831.32 | Joback Calculated Property |
| Cp,gas | 203.72 | J/mol×K | 890.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexathiepane.
Sources
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