- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3723 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.13e-03 | Relay (1.0) 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 | 420.34 | K | Relay (1.0) Calculated Property |
| Tc | 615.36 | K | Relay (1.0) Calculated Property |
| Tfus | 219.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.288 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 326.00 ± 2.00 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.67; 222.98] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.95020e+01 | |||
| Coefficient B | 3.62620e-01 | |||
| Coefficient C | -1.95500e-04 | |||
| Coefficient D | 3.63600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 124.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 143.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 159.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 173.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 186.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 197.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 207.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 215.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 222.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034502; 0.0003202] | Pa×s | [214.69; 399.06] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08144e+01 | |||
| Coefficient B | 1.10459e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 214.69 | |||
| Temperature range, max. | 399.06 | |||
| η | 0.0034502 | Pa×s | 214.69 | Calculated Property |
| η | 0.0022040 | Pa×s | 235.18 | Calculated Property |
| η | 0.0015127 | Pa×s | 255.66 | Calculated Property |
| η | 0.0010979 | Pa×s | 276.15 | Calculated Property |
| η | 0.0008329 | Pa×s | 296.63 | Calculated Property |
| η | 0.0006548 | Pa×s | 317.12 | Calculated Property |
| η | 0.0005301 | Pa×s | 337.61 | Calculated Property |
| η | 0.0004396 | Pa×s | 358.09 | Calculated Property |
| η | 0.0003720 | Pa×s | 378.58 | Calculated Property |
| η | 0.0003202 | Pa×s | 399.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-2-butanone.
Sources
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