- InChI
- InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3
- InChI Key
- APNSUHRNUVUCIP-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- CCC(=O)CCCl
- Molecular Weight1
- 120.58
- Other Names
-
- 3-Pentanone, 1-chloro-
- «beta»-Chloroethyl ethyl ketone
- 1-Chloroethyl ethyl ketone
- 1-chloropentan-3-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).
- 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 | 0.3858 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.594 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 433.13 | K | Relay (1.0) Calculated Property |
| Tc | 623.72 | K | Relay (1.0) Calculated Property |
| Tfus | 272.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.88; 274.57] | 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 | 1.85930e+01 | |||
| Coefficient B | 4.57620e-01 | |||
| Coefficient C | -2.49900e-04 | |||
| Coefficient D | 4.82600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 151.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 174.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 194.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 212.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 228.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 242.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 255.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 265.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 274.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037554; 0.0003369] | Pa×s | [225.96; 414.24] |
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 | -1.08897e+01 | |||
| Coefficient B | 1.19875e+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. | 225.96 | |||
| Temperature range, max. | 414.24 | |||
| η | 0.0037554 | Pa×s | 225.96 | Calculated Property |
| η | 0.0023957 | Pa×s | 246.88 | Calculated Property |
| η | 0.0016394 | Pa×s | 267.80 | Calculated Property |
| η | 0.0011853 | Pa×s | 288.72 | Calculated Property |
| η | 0.0008954 | Pa×s | 309.64 | Calculated Property |
| η | 0.0007008 | Pa×s | 330.56 | Calculated Property |
| η | 0.0005648 | Pa×s | 351.48 | Calculated Property |
| η | 0.0004663 | Pa×s | 372.40 | Calculated Property |
| η | 0.0003929 | Pa×s | 393.32 | Calculated Property |
| η | 0.0003369 | Pa×s | 414.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-CHLORO-3-PENTANONE.
Sources
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