- 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).
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -172.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.63 | kJ/mol | Joback Calculated Property |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.769 | Crippen Calculated Property | |
| McVol | 93.270 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Tboil | 403.70 | K | NIST |
| Tc | 619.35 | K | Joback Calculated Property |
| Tfus | 229.61 | K | Joback Calculated Property |
| Vc | 0.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.85; 189.78] | J/mol×K | [419.21; 619.35] | 
|
| Cp,gas | 152.85 | J/mol×K | 419.21 | Joback Calculated Property |
| Cp,gas | 159.85 | J/mol×K | 452.57 | Joback Calculated Property |
| Cp,gas | 166.50 | J/mol×K | 485.92 | Joback Calculated Property |
| Cp,gas | 172.81 | J/mol×K | 519.28 | Joback Calculated Property |
| Cp,gas | 178.78 | J/mol×K | 552.64 | Joback Calculated Property |
| Cp,gas | 184.44 | J/mol×K | 585.99 | Joback Calculated Property |
| Cp,gas | 189.78 | J/mol×K | 619.35 | Joback Calculated Property |
| η | [0.0003982; 0.0052966] | Pa×s | [229.61; 419.21] |
|
| η | 0.0052966 | Pa×s | 229.61 | Joback Calculated Property |
| η | 0.0026509 | Pa×s | 261.21 | Joback Calculated Property |
| η | 0.0015405 | Pa×s | 292.81 | Joback Calculated Property |
| η | 0.0009951 | Pa×s | 324.41 | Joback Calculated Property |
| η | 0.0006946 | Pa×s | 356.01 | Joback Calculated Property |
| η | 0.0005142 | Pa×s | 387.61 | Joback Calculated Property |
| η | 0.0003982 | Pa×s | 419.21 | 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
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