- InChI
- InChI=1S/C4H8S3/c1-3-6-7-4-2-5-1/h1-4H2
- InChI Key
- JOAOASQIWYLMQC-UHFFFAOYSA-N
- Formula
- C4H8S3
- SMILES
- C1CSSCCS1
- Molecular Weight1
- 152.30
- CAS
- 6576-93-8
- Other Names
-
- 1,2,5-Trithiapane
- 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).
- 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 | 0.2121 | Relay (1.0) Calculated Property | |
| ΔfG° | 122.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.115 | Crippen Calculated Property | |
| McVol | 105.410 | ml/mol | McGowan Calculated Property |
| Pc | 5430.51 | kPa | Joback Calculated Property |
| Tboil | 522.67 | K | Relay (1.0) Calculated Property |
| Tc | 770.84 | K | Relay (1.0) Calculated Property |
| Tfus | 333.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.338 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.25; 249.33] | J/mol×K | [462.90; 739.44] | 
|
| Cp,gas | 184.25 | J/mol×K | 462.90 | Joback Calculated Property |
| Cp,gas | 197.42 | J/mol×K | 508.99 | Joback Calculated Property |
| Cp,gas | 209.61 | J/mol×K | 555.08 | Joback Calculated Property |
| Cp,gas | 220.85 | J/mol×K | 601.17 | Joback Calculated Property |
| Cp,gas | 231.19 | J/mol×K | 647.26 | Joback Calculated Property |
| Cp,gas | 240.67 | J/mol×K | 693.35 | Joback Calculated Property |
| Cp,gas | 249.33 | J/mol×K | 739.44 | Joback Calculated Property |
Similar Compounds
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