- InChI
- InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
- InChI Key
- HFLMYYLFSNEOOT-UHFFFAOYSA-N
- Formula
- C5H7ClO3
- SMILES
- COC(=O)CC(=O)CCl
- Molecular Weight1
- 150.56
- CAS
- 32807-28-6
- Other Names
-
- Acetoacetic acid, 4-chloro-, methyl ester
- «gamma»-Chloroacetoacetic acid, methyl ester
- Methyl «gamma»-chloroacetoacetate
- Methyl «omega»-chloroacetoacetate
- Methyl 4-chloroacetoacetate
- methyl 4-chloro-3-oxobutyrate
- 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 | 0.4487 | Relay (1.0) Calculated Property | |
| ΔfG° | -383.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.357 | Crippen Calculated Property | |
| McVol | 102.560 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Tboil | 470.65 | K | Relay (1.0) Calculated Property |
| Tc | 666.83 | K | Relay (1.0) Calculated Property |
| Tfus | 297.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.25; 239.83] | J/mol×K | [481.39; 678.32] | 
|
| Cp,gas | 198.25 | J/mol×K | 481.39 | Joback Calculated Property |
| Cp,gas | 205.97 | J/mol×K | 514.21 | Joback Calculated Property |
| Cp,gas | 213.38 | J/mol×K | 547.03 | Joback Calculated Property |
| Cp,gas | 220.47 | J/mol×K | 579.85 | Joback Calculated Property |
| Cp,gas | 227.25 | J/mol×K | 612.68 | Joback Calculated Property |
| Cp,gas | 233.70 | J/mol×K | 645.50 | Joback Calculated Property |
| Cp,gas | 239.83 | J/mol×K | 678.32 | Joback Calculated Property |
| η | [0.0003529; 0.0026104] | Pa×s | [298.12; 481.39] |
|
| η | 0.0026104 | Pa×s | 298.12 | Joback Calculated Property |
| η | 0.0016016 | Pa×s | 328.67 | Joback Calculated Property |
| η | 0.0010678 | Pa×s | 359.21 | Joback Calculated Property |
| η | 0.0007586 | Pa×s | 389.75 | Joback Calculated Property |
| η | 0.0005664 | Pa×s | 420.30 | Joback Calculated Property |
| η | 0.0004399 | Pa×s | 450.85 | Joback Calculated Property |
| η | 0.0003529 | Pa×s | 481.39 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.20 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro-3-oxo-, methyl ester.
Sources
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