- InChI
- InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
- InChI Key
- OIMRLHCSLQUXLL-UHFFFAOYSA-N
- Formula
- C4H7ClO
- SMILES
- CC(=O)C(C)Cl
- Molecular Weight1
- 106.55
- CAS
- 4091-39-8
- Other Names
-
- 1-Chloroethyl methyl ketone
- 2-Chloro-3-butanone
- 3-Chloro-2-butanone
- 3-Chlorobutanone
- 3-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 | 0.3136 | Relay (1.0) Calculated Property | |
| ΔfG° | -160.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.203 | Crippen Calculated Property | |
| McVol | 81.030 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Inp | [704.00; 748.00] |
|
|
| Inp | 704.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 748.00 | NIST | |
| Tboil | 388.20 | K | NIST |
| Tc | 584.46 | K | Relay (1.0) Calculated Property |
| Tfus | 227.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.296 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.60; 170.72] | J/mol×K | [381.98; 574.26] |
|
| Cp,gas | 131.60 | J/mol×K | 381.98 | Joback Calculated Property |
| Cp,gas | 138.89 | J/mol×K | 414.03 | Joback Calculated Property |
| Cp,gas | 145.86 | J/mol×K | 446.07 | Joback Calculated Property |
| Cp,gas | 152.52 | J/mol×K | 478.12 | Joback Calculated Property |
| Cp,gas | 158.88 | J/mol×K | 510.16 | Joback Calculated Property |
| Cp,gas | 164.95 | J/mol×K | 542.21 | Joback Calculated Property |
| Cp,gas | 170.72 | J/mol×K | 574.26 | Joback Calculated Property |
| η | [0.0003500; 0.0053672] | Pa×s | [199.69; 381.98] |
|
| η | 0.0053672 | Pa×s | 199.69 | Joback Calculated Property |
| η | 0.0025215 | Pa×s | 230.07 | Joback Calculated Property |
| η | 0.0014129 | Pa×s | 260.45 | Joback Calculated Property |
| η | 0.0008935 | Pa×s | 290.84 | Joback Calculated Property |
| η | 0.0006163 | Pa×s | 321.22 | Joback Calculated Property |
| η | 0.0004532 | Pa×s | 351.60 | Joback Calculated Property |
| η | 0.0003500 | Pa×s | 381.98 | Joback Calculated Property |
| ΔvapH | 38.80 | kJ/mol | 351.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [284.40; 416.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61158e+01 | |||
| Coefficient B | -4.50148e+03 | |||
| Temperature range, min. | 284.40 | |||
| Temperature range, max. | 416.63 | |||
| Pvap | 1.33 | kPa | 284.40 | Calculated Property |
| Pvap | 2.90 | kPa | 299.09 | Calculated Property |
| Pvap | 5.87 | kPa | 313.78 | Calculated Property |
| Pvap | 11.15 | kPa | 328.48 | Calculated Property |
| Pvap | 20.05 | kPa | 343.17 | Calculated Property |
| Pvap | 34.36 | kPa | 357.86 | Calculated Property |
| Pvap | 56.43 | kPa | 372.55 | Calculated Property |
| Pvap | 89.25 | kPa | 387.25 | Calculated Property |
| Pvap | 136.51 | kPa | 401.94 | Calculated Property |
| Pvap | 202.62 | kPa | 416.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 3-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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