- InChI
- InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
- InChI Key
- FGYBDASKYMSNCX-UHFFFAOYSA-N
- Formula
- C4H2Cl2S
- SMILES
- Clc1ccc(Cl)s1
- Molecular Weight1
- 153.03
- CAS
- 3172-52-9
- Other Names
-
- 2,5-Dichlorothiophene
- 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).
- Pvap : Vapor 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 | 0.2781 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 51.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 44.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.055 | Crippen Calculated Property | |
| McVol | 88.590 | ml/mol | McGowan Calculated Property |
| Pc | 4715.38 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 425.54 | K | Relay (1.0) Calculated Property |
| Tc | 671.54 | K | Relay (1.0) Calculated Property |
| Tfus | 311.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.311 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [297.13; 470.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38095e+01 | |||
| Coefficient B | -3.96084e+03 | |||
| Coefficient C | -4.21200e+00 | |||
| Temperature range, min. | 297.13 | |||
| Temperature range, max. | 470.30 | |||
| Pvap | 1.33 | kPa | 297.13 | Calculated Property |
| Pvap | 3.07 | kPa | 316.37 | Calculated Property |
| Pvap | 6.41 | kPa | 335.61 | Calculated Property |
| Pvap | 12.35 | kPa | 354.85 | Calculated Property |
| Pvap | 22.22 | kPa | 374.09 | Calculated Property |
| Pvap | 37.74 | kPa | 393.34 | Calculated Property |
| Pvap | 60.96 | kPa | 412.58 | Calculated Property |
| Pvap | 94.32 | kPa | 431.82 | Calculated Property |
| Pvap | 140.55 | kPa | 451.06 | Calculated Property |
| Pvap | 202.65 | kPa | 470.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2,5-dichloro-.
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
- The Yaws Handbook of Vapor Pressure
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