- InChI
- InChI=1S/C3H3Cl3O/c4-1-2(5)3(6)7/h2H,1H2
- InChI Key
- JQELECXPPAOSTM-UHFFFAOYSA-N
- Formula
- C3H3Cl3O
- SMILES
- O=C(Cl)C(Cl)CCl
- Molecular Weight1
- 161.42
- Other Names
-
- Propanoyl chloride, 2,3-dichloro-
- 2,3-Dichloropropanoyl chloride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -312.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.19 | kJ/mol | Joback Calculated Property |
| IE | 10.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.598 | Crippen Calculated Property | |
| McVol | 91.420 | ml/mol | McGowan Calculated Property |
| Inp | [905.00; 905.00] |
|
|
| Inp | 905.00 | NIST | |
| Inp | 905.00 | NIST | |
| Tboil | 427.59 | K | Relay (1.0) Calculated Property |
| Tfus | 291.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.64; 163.78] | J/mol×K | [433.76; 643.42] |
|
| Cp,gas | 137.64 | J/mol×K | 433.76 | Joback Calculated Property |
| Cp,gas | 142.73 | J/mol×K | 468.70 | Joback Calculated Property |
| Cp,gas | 147.52 | J/mol×K | 503.65 | Joback Calculated Property |
| Cp,gas | 152.00 | J/mol×K | 538.59 | Joback Calculated Property |
| Cp,gas | 156.20 | J/mol×K | 573.53 | Joback Calculated Property |
| Cp,gas | 160.13 | J/mol×K | 608.48 | Joback Calculated Property |
| Cp,gas | 163.78 | J/mol×K | 643.42 | Joback Calculated Property |
| η | [0.0004459; 0.0048954] | Pa×s | [248.26; 433.76] |
|
| η | 0.0048954 | Pa×s | 248.26 | Joback Calculated Property |
| η | 0.0026323 | Pa×s | 279.18 | Joback Calculated Property |
| η | 0.0016018 | Pa×s | 310.09 | Joback Calculated Property |
| η | 0.0010666 | Pa×s | 341.01 | Joback Calculated Property |
| η | 0.0007599 | Pa×s | 371.93 | Joback Calculated Property |
| η | 0.0005703 | Pa×s | 402.84 | Joback Calculated Property |
| η | 0.0004459 | Pa×s | 433.76 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [326.20; 326.70] | K | [2.10; 2.30] |
|
| Tboilr | 326.20 | K | 2.10 | NIST |
| Tboilr | 326.70 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 2,3-DICHLOROPROPIONYL CHLORIDE.
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
- Joback Method
- McGowan Method
- NIST Webbook
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