- InChI
- InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
- InChI Key
- GSFNQBFZFXUTBN-UHFFFAOYSA-N
- Formula
- C4H3ClS
- SMILES
- Clc1cccs1
- Molecular Weight1
- 118.58
- CAS
- 96-43-5
- Other Names
-
- 2-Chlorothiophene
- 2-Thienyl chloride
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | [8.68; 9.06] | eV |
|
| IE | 8.74 ± 0.04 | eV | NIST |
| IE | 8.78 | eV | NIST |
| IE | 8.83 | eV | NIST |
| IE | Outlier 9.06 ± 0.05 | eV | NIST |
| IE | 8.70 ± 0.05 | eV | NIST |
| IE | 8.68 ± 0.01 | eV | NIST |
| IE | 8.89 ± 0.05 | eV | NIST |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 2.401 | Crippen Calculated Property | |
| McVol | 76.350 | ml/mol | McGowan Calculated Property |
| S°liquid | 209.11 | J/mol×K | NIST |
| Tboil | [401.50; 465.65] | K |
|
| Tboil | 401.50 | K | NIST |
| Tboil | 401.65 ± 1.50 | K | NIST |
| Tboil | 465.65 ± 1.50 | K | NIST |
| Ttriple | 201.00 ± 0.10 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 139.43 | J/mol×K | 298.15 | NIST |
| ΔfusH | [8.97; 8.97] | kJ/mol | [201.30; 201.30] |
|
| ΔfusH | 8.97 | kJ/mol | 201.30 | NIST |
| ΔfusH | 8.97 | kJ/mol | 201.30 | NIST |
| ΔvapH | [34.40; 36.90] | kJ/mol | [353.50; 360.50] |
|
| ΔvapH | 34.40 | kJ/mol | 353.50 | NIST |
| ΔvapH | 34.70 | kJ/mol | 357.00 | NIST |
| ΔvapH | 36.90 | kJ/mol | 360.50 | NIST |
| ΔfusS | 44.54 | J/mol×K | 201.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [282.85; 430.46] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48221e+01 | |||
| Coefficient B | -4.06128e+03 | |||
| Coefficient C | -3.43100e+00 | |||
| Temperature range, min. | 282.85 | |||
| Temperature range, max. | 430.46 | |||
| Pvap | 1.33 | kPa | 282.85 | Calculated Property |
| Pvap | 2.98 | kPa | 299.25 | Calculated Property |
| Pvap | 6.14 | kPa | 315.65 | Calculated Property |
| Pvap | 11.75 | kPa | 332.05 | Calculated Property |
| Pvap | 21.14 | kPa | 348.45 | Calculated Property |
| Pvap | 36.06 | kPa | 364.86 | Calculated Property |
| Pvap | 58.73 | kPa | 381.26 | Calculated Property |
| Pvap | 91.85 | kPa | 397.66 | Calculated Property |
| Pvap | 138.61 | kPa | 414.06 | Calculated Property |
| Pvap | 202.66 | kPa | 430.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-chloro-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.