- 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
- 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 | 0.4825 | Relay (1.0) Calculated Property | |
| ΔfG° | -451.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.747 | Crippen Calculated Property | |
| McVol | 116.650 | ml/mol | McGowan Calculated Property |
| Pc | 3217.33 | kPa | Joback Calculated Property |
| Tboil | 481.39 | K | Relay (1.0) Calculated Property |
| Tc | 680.80 | K | Relay (1.0) Calculated Property |
| Tfus | 291.06 | 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 | [235.97; 285.15] | J/mol×K | [486.40; 677.89] | 
|
| Cp,gas | 235.97 | J/mol×K | 486.40 | Joback Calculated Property |
| Cp,gas | 245.21 | J/mol×K | 518.32 | Joback Calculated Property |
| Cp,gas | 254.03 | J/mol×K | 550.23 | Joback Calculated Property |
| Cp,gas | 262.43 | J/mol×K | 582.15 | Joback Calculated Property |
| Cp,gas | 270.42 | J/mol×K | 614.06 | Joback Calculated Property |
| Cp,gas | 277.99 | J/mol×K | 645.98 | Joback Calculated Property |
| Cp,gas | 285.15 | J/mol×K | 677.89 | Joback Calculated Property |
| η | [0.0003081; 0.0039831] | Pa×s | [279.56; 486.40] |
|
| η | 0.0039831 | Pa×s | 279.56 | Joback Calculated Property |
| η | 0.0020572 | Pa×s | 314.03 | Joback Calculated Property |
| η | 0.0012108 | Pa×s | 348.51 | Joback Calculated Property |
| η | 0.0007841 | Pa×s | 382.98 | Joback Calculated Property |
| η | 0.0005455 | Pa×s | 417.45 | Joback Calculated Property |
| η | 0.0004011 | Pa×s | 451.93 | Joback Calculated Property |
| η | 0.0003081 | Pa×s | 486.40 | 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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