- InChI
- InChI=1S/C7H8S3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H2
- InChI Key
- WNPWNYMVKHOGRA-UHFFFAOYSA-N
- Formula
- C7H8S3
- SMILES
- S=c1ssc2c1CCCC2
- Molecular Weight1
- 188.33
- CAS
- 14085-34-8
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -5754.30 ± 8.40 | kJ/mol | NIST |
| ΔfH°gas | 156.00 | kJ/mol | NIST |
| ΔfH°solid | 50.20 ± 8.40 | kJ/mol | NIST |
| ΔsubH° | [105.30; 105.80] | kJ/mol |
|
| ΔsubH° | 105.30 | kJ/mol | NIST |
| ΔsubH° | 105.30 | kJ/mol | NIST |
| ΔsubH° | 105.80 | kJ/mol | NIST |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 3.418 | Crippen Calculated Property | |
| McVol | 128.220 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 101.60 | kJ/mol | 342.50 | NIST |
Similar Compounds
Find more compounds similar to 4,5-Tetramethylene-1,2-dithiol-3-thione.
Sources
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