- InChI
- InChI=1S/C7H10S2/c1-2-4-9-7-3-5-8-6-7/h3,5-6H,2,4H2,1H3
- InChI Key
- JZKOZBMAZVVCPX-UHFFFAOYSA-N
- Formula
- C7H10S2
- SMILES
- CCCSc1ccsc1
- Molecular Weight1
- 158.28
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.2921 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 66.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.250 | Crippen Calculated Property | |
| McVol | 122.730 | ml/mol | McGowan Calculated Property |
| Pc | 3184.46 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1213.00; 1234.00] |
|
|
| Inp | 1224.00 | NIST | |
| Inp | 1229.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Tboil | 499.54 | K | Relay (1.0) Calculated Property |
| Tc | 699.01 | K | Relay (1.0) Calculated Property |
| Tfus | 228.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 3-propylthio.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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