- InChI
- InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
- InChI Key
- RDULEYWUGKOCMR-UHFFFAOYSA-N
- Formula
- C6H9ClO3
- SMILES
- CCOC(=O)C(Cl)C(C)=O
- Molecular Weight1
- 164.59
- CAS
- 609-15-4
- Other Names
-
- Acetoacetic acid, 2-chloro-, ethyl ester
- Ethyl «alpha»-chloroacetoacetate
- Ethyl 2-chloracetoacetate
- Ethyl 2-chloro-3-oxobutanoate
- Ethyl 2-chloroacetoacetate
- 2-Chloro-3-oxobutanoic acid, ethyl ester
- 2-Chloro-3-oxobutyric acid ethyl ester
- 2-Chloroacetoacetic acid ethyl ester
- A 21960
- NSC 78426
- 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 | 0.4286 | Relay (1.0) Calculated Property | |
| ΔfG° | -454.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.746 | Crippen Calculated Property | |
| McVol | 116.650 | ml/mol | McGowan Calculated Property |
| Pc | 3246.73 | kPa | Joback Calculated Property |
| Tboil | 452.49 | K | Relay (1.0) Calculated Property |
| Tc | 660.87 | K | Relay (1.0) Calculated Property |
| Tfus | 277.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.22; 286.68] | J/mol×K | [485.96; 681.70] | 
|
| Cp,gas | 236.22 | J/mol×K | 485.96 | Joback Calculated Property |
| Cp,gas | 245.74 | J/mol×K | 518.58 | Joback Calculated Property |
| Cp,gas | 254.82 | J/mol×K | 551.21 | Joback Calculated Property |
| Cp,gas | 263.45 | J/mol×K | 583.83 | Joback Calculated Property |
| Cp,gas | 271.64 | J/mol×K | 616.45 | Joback Calculated Property |
| Cp,gas | 279.38 | J/mol×K | 649.08 | Joback Calculated Property |
| Cp,gas | 286.68 | J/mol×K | 681.70 | Joback Calculated Property |
| η | [0.0002922; 0.0056534] | Pa×s | [264.56; 485.96] |
|
| η | 0.0056534 | Pa×s | 264.56 | Joback Calculated Property |
| η | 0.0025504 | Pa×s | 301.46 | Joback Calculated Property |
| η | 0.0013687 | Pa×s | 338.36 | Joback Calculated Property |
| η | 0.0008302 | Pa×s | 375.26 | Joback Calculated Property |
| η | 0.0005507 | Pa×s | 412.16 | Joback Calculated Property |
| η | 0.0003908 | Pa×s | 449.06 | Joback Calculated Property |
| η | 0.0002922 | Pa×s | 485.96 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-chloro-3-oxo-, ethyl ester.
Sources
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