- InChI
- InChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
- InChI Key
- OHLRLMWUFVDREV-UHFFFAOYSA-N
- Formula
- C6H9ClO3
- SMILES
- CCOC(=O)CC(=O)CCl
- Molecular Weight1
- 164.59
- CAS
- 638-07-3
- Other Names
-
- Ethyl 4-chloroacetoacetate
- Ethyl «gamma»-chloroacetoacetate
- 4-Chloroacetoacetic acid ethyl ester
- Acetoacetic acid, 4-chloro-, ethyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -375.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.24 | kJ/mol | Joback Calculated Property |
| log10WS | -0.63 | Crippen Calculated Property | |
| logPoct/wat | 0.747 | Crippen Calculated Property | |
| McVol | 116.650 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Tboil | 504.27 | K | Joback Calculated Property |
| Tc | 698.73 | K | Joback Calculated Property |
| Tfus | 309.39 | K | Joback Calculated Property |
| Vc | 0.451 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.35; 286.45] | J/mol×K | [504.27; 698.73] | 
|
| Cp,gas | 238.35 | J/mol×K | 504.27 | Joback Calculated Property |
| Cp,gas | 247.32 | J/mol×K | 536.68 | Joback Calculated Property |
| Cp,gas | 255.91 | J/mol×K | 569.09 | Joback Calculated Property |
| Cp,gas | 264.12 | J/mol×K | 601.50 | Joback Calculated Property |
| Cp,gas | 271.94 | J/mol×K | 633.91 | Joback Calculated Property |
| Cp,gas | 279.39 | J/mol×K | 666.32 | Joback Calculated Property |
| Cp,gas | 286.45 | J/mol×K | 698.73 | Joback Calculated Property |
| η | [0.0003287; 0.0026181] | Pa×s | [309.39; 504.27] |
|
| η | 0.0026181 | Pa×s | 309.39 | Joback Calculated Property |
| η | 0.0015720 | Pa×s | 341.87 | Joback Calculated Property |
| η | 0.0010312 | Pa×s | 374.35 | Joback Calculated Property |
| η | 0.0007236 | Pa×s | 406.83 | Joback Calculated Property |
| η | 0.0005350 | Pa×s | 439.31 | Joback Calculated Property |
| η | 0.0004124 | Pa×s | 471.79 | Joback Calculated Property |
| η | 0.0003287 | Pa×s | 504.27 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro-3-oxo-, ethyl ester.
Sources
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