- InChI
- InChI=1S/C4H6Cl2O/c1-2-3(5)4(6)7/h3H,2H2,1H3
- InChI Key
- KVQJVAOMYWTLEO-UHFFFAOYSA-N
- Formula
- C4H6Cl2O
- SMILES
- CCC(Cl)C(=O)Cl
- Molecular Weight1
- 141.00
- CAS
- 7623-11-2
- Other Names
-
- 2-Chlorobutyryl 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -308.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.769 | Crippen Calculated Property | |
| McVol | 93.270 | ml/mol | McGowan Calculated Property |
| Tboil | 403.70 | K | NIST |
| Tfus | 230.68 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [152.89; 189.82] | J/mol×K | [419.41; 619.64] | 
|
| Cp,gas | 152.89 | J/mol×K | 419.41 | Joback Calculated Property |
| Cp,gas | 159.90 | J/mol×K | 452.78 | Joback Calculated Property |
| Cp,gas | 166.55 | J/mol×K | 486.15 | Joback Calculated Property |
| Cp,gas | 172.85 | J/mol×K | 519.53 | Joback Calculated Property |
| Cp,gas | 178.83 | J/mol×K | 552.90 | Joback Calculated Property |
| Cp,gas | 184.48 | J/mol×K | 586.27 | Joback Calculated Property |
| Cp,gas | 189.82 | J/mol×K | 619.64 | Joback Calculated Property |
| η | [0.0003977; 0.0052966] | Pa×s | [229.61; 419.41] |
|
| η | 0.0052966 | Pa×s | 229.61 | Joback Calculated Property |
| η | 0.0026492 | Pa×s | 261.24 | Joback Calculated Property |
| η | 0.0015390 | Pa×s | 292.88 | Joback Calculated Property |
| η | 0.0009939 | Pa×s | 324.51 | Joback Calculated Property |
| η | 0.0006937 | Pa×s | 356.14 | Joback Calculated Property |
| η | 0.0005134 | Pa×s | 387.78 | Joback Calculated Property |
| η | 0.0003977 | Pa×s | 419.41 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 324.70 | K | 5.50 | NIST |
Similar Compounds
Find more compounds similar to Butanoyl chloride, 2-chloro-.
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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