- InChI
- InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
- InChI Key
- VLRGXXKFHVJQOL-UHFFFAOYSA-N
- Formula
- C5H7ClO2
- SMILES
- CC(=O)C(Cl)C(C)=O
- Molecular Weight1
- 134.56
- CAS
- 1694-29-7
- Other Names
-
- 3-Chloroacetylacetone
- 2,4-Pentanedione, 3-chloro-
- 1-Acetyl-1-chloroacetone
- 3-chloropentane-2,4-dione
- 3-Chloro.2,4-pentanedione
- 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 | 0.3670 | Relay (1.0) Calculated Property | |
| ΔfG° | -280.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.772 | Crippen Calculated Property | |
| McVol | 96.690 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Tboil | 427.65 | K | Relay (1.0) Calculated Property |
| Tc | 640.97 | K | Relay (1.0) Calculated Property |
| Tfus | 319.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.43; 220.99] | J/mol×K | [458.53; 661.35] | 
|
| Cp,gas | 178.43 | J/mol×K | 458.53 | Joback Calculated Property |
| Cp,gas | 186.50 | J/mol×K | 492.33 | Joback Calculated Property |
| Cp,gas | 194.18 | J/mol×K | 526.14 | Joback Calculated Property |
| Cp,gas | 201.45 | J/mol×K | 559.94 | Joback Calculated Property |
| Cp,gas | 208.34 | J/mol×K | 593.74 | Joback Calculated Property |
| Cp,gas | 214.85 | J/mol×K | 627.55 | Joback Calculated Property |
| Cp,gas | 220.99 | J/mol×K | 661.35 | Joback Calculated Property |
| η | [0.0003971; 0.0046009] | Pa×s | [260.89; 458.53] |
|
| η | 0.0046009 | Pa×s | 260.89 | Joback Calculated Property |
| η | 0.0024329 | Pa×s | 293.83 | Joback Calculated Property |
| η | 0.0014629 | Pa×s | 326.77 | Joback Calculated Property |
| η | 0.0009655 | Pa×s | 359.71 | Joback Calculated Property |
| η | 0.0006832 | Pa×s | 392.65 | Joback Calculated Property |
| η | 0.0005101 | Pa×s | 425.59 | Joback Calculated Property |
| η | 0.0003971 | Pa×s | 458.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 323.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 3-Chloro-2,4-pentanedione.
Sources
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