- InChI
- InChI=1S/C5H10S3/c1-2-6-4-5-8-7-3-1/h1-5H2
- InChI Key
- NYYXNYALXKWFOR-UHFFFAOYSA-N
- Formula
- C5H10S3
- SMILES
- C1CSCCSSC1
- Molecular Weight1
- 166.33
- 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 | 0.2070 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -21.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.505 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 4903.92 | kPa | Joback Calculated Property |
| Inp | [1297.00; 1302.00] |
|
|
| Inp | 1302.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Tboil | 542.50 | K | Relay (1.0) Calculated Property |
| Tc | 800.31 | K | Relay (1.0) Calculated Property |
| Tfus | 302.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.385 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.91; 301.86] | J/mol×K | [490.05; 772.16] |
|
| Cp,gas | 223.91 | J/mol×K | 490.05 | Joback Calculated Property |
| Cp,gas | 239.70 | J/mol×K | 537.07 | Joback Calculated Property |
| Cp,gas | 254.32 | J/mol×K | 584.09 | Joback Calculated Property |
| Cp,gas | 267.82 | J/mol×K | 631.11 | Joback Calculated Property |
| Cp,gas | 280.22 | J/mol×K | 678.12 | Joback Calculated Property |
| Cp,gas | 291.56 | J/mol×K | 725.14 | Joback Calculated Property |
| Cp,gas | 301.86 | J/mol×K | 772.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,5-trithiacyclooctane.
Sources
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