- InChI
- InChI=1S/C3H6S3/c1-2-4-6-5-3-1/h1-3H2
- InChI Key
- BVOMRRWJQOJMPA-UHFFFAOYSA-N
- Formula
- C3H6S3
- SMILES
- C1CSSSC1
- Molecular Weight1
- 138.28
- CAS
- 3325-33-5
- Other Names
-
- 1,2,3-Trithiane
- 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 |
|---|---|---|---|
| ΔfG° | 126.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 105.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.45 | kJ/mol | Joback Calculated Property |
| IE | [7.90; 8.36] | eV |
|
| IE | 7.90 | eV | NIST |
| IE | 8.36 | eV | NIST |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.420 | Crippen Calculated Property | |
| McVol | 91.320 | ml/mol | McGowan Calculated Property |
| Pc | 6046.69 | kPa | Joback Calculated Property |
| Inp | [1195.00; 1216.00] |
|
|
| Inp | 1216.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Tboil | 435.75 | K | Joback Calculated Property |
| Tc | 706.04 | K | Joback Calculated Property |
| Tfus | 385.54 | K | Joback Calculated Property |
| Vc | 0.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.83; 199.19] | J/mol×K | [435.75; 706.04] |
|
| Cp,gas | 147.83 | J/mol×K | 435.75 | Joback Calculated Property |
| Cp,gas | 158.30 | J/mol×K | 480.80 | Joback Calculated Property |
| Cp,gas | 167.94 | J/mol×K | 525.85 | Joback Calculated Property |
| Cp,gas | 176.80 | J/mol×K | 570.89 | Joback Calculated Property |
| Cp,gas | 184.93 | J/mol×K | 615.94 | Joback Calculated Property |
| Cp,gas | 192.38 | J/mol×K | 660.99 | Joback Calculated Property |
| Cp,gas | 199.19 | J/mol×K | 706.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Trithiacyclohexane.
Sources
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