- InChI
- InChI=1S/C4H7ClO/c1-2-4(6)3-5/h2-3H2,1H3
- InChI Key
- AALRHBLMAVGWRR-UHFFFAOYSA-N
- Formula
- C4H7ClO
- SMILES
- CCC(=O)CCl
- Molecular Weight1
- 106.55
- CAS
- 616-27-3
- Other Names
-
- 1-Chloro-2-butanone
- 1-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.3307 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.72 | 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 | [753.00; 758.00] |
|
|
| Inp | 753.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 753.00 | NIST | |
| Tboil | 407.49 | K | Relay (1.0) Calculated Property |
| Tc | 596.54 | K | Relay (1.0) Calculated Property |
| Tfus | 290.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) 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 |
| ΔvapH | 49.20 | kJ/mol | 359.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.24; 202.62] | kPa | [307.00; 412.56] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40701e+01 | |||
| Coefficient B | -2.51367e+03 | |||
| Coefficient C | -1.25570e+02 | |||
| Temperature range, min. | 307.00 | |||
| Temperature range, max. | 412.56 | |||
| Pvap | 1.24 | kPa | 307.00 | Calculated Property |
| Pvap | 2.88 | kPa | 318.73 | Calculated Property |
| Pvap | 6.06 | kPa | 330.46 | Calculated Property |
| Pvap | 11.77 | kPa | 342.19 | Calculated Property |
| Pvap | 21.37 | kPa | 353.92 | Calculated Property |
| Pvap | 36.59 | kPa | 365.64 | Calculated Property |
| Pvap | 59.59 | kPa | 377.37 | Calculated Property |
| Pvap | 92.92 | kPa | 389.10 | Calculated Property |
| Pvap | 139.51 | kPa | 400.83 | Calculated Property |
| Pvap | 202.62 | kPa | 412.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 1-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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