- InChI
- InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3
- InChI Key
- MAGOYBJJLVSJIC-UHFFFAOYSA-N
- Formula
- C4H7ClO
- SMILES
- CC(=O)CCCl
- Molecular Weight1
- 106.55
- CAS
- 6322-49-2
- Other Names
-
- 2-Butanone, 4-chloro-
- 1-Chloro-3-butanone
- 4-chlorobutan-2-one
- 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).
- Inp : Non-polar retention indices.
- 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° | -158.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.63 | kJ/mol | Joback Calculated Property |
| log10WS | -0.93 | Crippen Calculated Property | |
| logPoct/wat | 1.204 | Crippen Calculated Property | |
| McVol | 81.030 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | 760.00 | NIST | |
| Tboil | 382.22 | K | Joback Calculated Property |
| Tc | 569.79 | K | Joback Calculated Property |
| Tfus | 214.69 | K | Joback Calculated Property |
| Vc | 0.315 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.57; 169.37] | J/mol×K | [382.22; 569.79] | 
|
| Cp,gas | 131.57 | J/mol×K | 382.22 | Joback Calculated Property |
| Cp,gas | 138.59 | J/mol×K | 413.48 | Joback Calculated Property |
| Cp,gas | 145.30 | J/mol×K | 444.74 | Joback Calculated Property |
| Cp,gas | 151.74 | J/mol×K | 476.01 | Joback Calculated Property |
| Cp,gas | 157.89 | J/mol×K | 507.27 | Joback Calculated Property |
| Cp,gas | 163.76 | J/mol×K | 538.53 | Joback Calculated Property |
| Cp,gas | 169.37 | J/mol×K | 569.79 | Joback Calculated Property |
| η | [0.0003618; 0.0034502] | Pa×s | [214.69; 382.22] |
|
| η | 0.0034502 | Pa×s | 214.69 | Joback Calculated Property |
| η | 0.0019085 | Pa×s | 242.61 | Joback Calculated Property |
| η | 0.0011929 | Pa×s | 270.53 | Joback Calculated Property |
| η | 0.0008142 | Pa×s | 298.46 | Joback Calculated Property |
| η | 0.0005932 | Pa×s | 326.38 | Joback Calculated Property |
| η | 0.0004543 | Pa×s | 354.30 | Joback Calculated Property |
| η | 0.0003618 | Pa×s | 382.22 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 326.00 ± 2.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 4-Chloro-2-butanone.
Sources
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