- InChI
- InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
- InChI Key
- INUNLMUAPJVRME-UHFFFAOYSA-N
- Formula
- C3H4Cl2O
- SMILES
- O=C(Cl)CCCl
- Molecular Weight1
- 126.97
- CAS
- 625-36-5
- Other Names
-
- 3-Chloropropionyl chloride
- 3-Chloropropionic acid chloride
- «beta»-Chloropropanoyl chloride
- «beta»-Chloropropionoyl chloride
- «beta»-Chloropropionyl chloride
- Propionyl chloride, 3-chloro-
- 3-Chloropropanoyl chloride
- «beta»-Chloropropionic acid chloride
- NSC 84180
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.3741 | Relay (... Calculated Property | |
| ΔfG° | -178.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.78 | kJ/mol | Relay (... Calculated Property |
| IE | 10.60 | eV | Relay (... Calculated Property |
| log10WS | -0.92 | Relay (... Calculated Property | |
| logPoct/wat | 1.381 | Crippen Calculated Property | |
| McVol | 79.180 | ml/mol | McGowan Calculated Property |
| Pc | 4345.39 | kPa | Joback Calculated Property |
| Inp | [841.90; 841.90] |
|
|
| Inp | 841.90 | NIST | |
| Inp | 841.90 | NIST | |
| Tboil | 417.20 | K | NIST |
| Tc | 616.45 | K | Relay (... Calculated Property |
| Tfus | 229.87 | K | Relay (... Calculated Property |
| Vc | 0.275 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.84; 146.32] | J/mol×K | [396.77; 593.93] |
|
| Cp,gas | 118.84 | J/mol×K | 396.77 | Joback Calculated Property |
| Cp,gas | 124.04 | J/mol×K | 429.63 | Joback Calculated Property |
| Cp,gas | 128.97 | J/mol×K | 462.49 | Joback Calculated Property |
| Cp,gas | 133.67 | J/mol×K | 495.35 | Joback Calculated Property |
| Cp,gas | 138.11 | J/mol×K | 528.21 | Joback Calculated Property |
| Cp,gas | 142.33 | J/mol×K | 561.07 | Joback Calculated Property |
| Cp,gas | 146.32 | J/mol×K | 593.93 | Joback Calculated Property |
| η | [0.0004283; 0.0034494] | Pa×s | [233.34; 396.77] |
|
| η | 0.0034494 | Pa×s | 233.34 | Joback Calculated Property |
| η | 0.0020316 | Pa×s | 260.58 | Joback Calculated Property |
| η | 0.0013226 | Pa×s | 287.82 | Joback Calculated Property |
| η | 0.0009274 | Pa×s | 315.06 | Joback Calculated Property |
| η | 0.0006881 | Pa×s | 342.29 | Joback Calculated Property |
| η | 0.0005335 | Pa×s | 369.53 | Joback Calculated Property |
| η | 0.0004283 | Pa×s | 396.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoyl chloride, 3-chloro-.
Sources
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