- InChI
- InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3
- InChI Key
- GYQRIAVRKLRQKP-UHFFFAOYSA-N
- Formula
- C5H7ClO3
- SMILES
- COC(=O)C(Cl)C(C)=O
- Molecular Weight1
- 150.56
- CAS
- 4755-81-1
- Other Names
-
- Methyl 2-chloroacetoacetate
- 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).
- 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° | -385.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.62 | kJ/mol | Joback Calculated Property |
| log10WS | -0.32 | Crippen Calculated Property | |
| logPoct/wat | 0.356 | Crippen Calculated Property | |
| McVol | 102.560 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | 410.20 | K | NIST |
| Tc | 682.34 | K | Joback Calculated Property |
| Tfus | 283.12 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.51; 241.27] | J/mol×K | [480.95; 682.34] | 
|
| Cp,gas | 198.51 | J/mol×K | 480.95 | Joback Calculated Property |
| Cp,gas | 206.49 | J/mol×K | 514.52 | Joback Calculated Property |
| Cp,gas | 214.13 | J/mol×K | 548.08 | Joback Calculated Property |
| Cp,gas | 221.43 | J/mol×K | 581.65 | Joback Calculated Property |
| Cp,gas | 228.39 | J/mol×K | 615.21 | Joback Calculated Property |
| Cp,gas | 235.00 | J/mol×K | 648.78 | Joback Calculated Property |
| Cp,gas | 241.27 | J/mol×K | 682.34 | Joback Calculated Property |
| η | [0.0003349; 0.0034472] | Pa×s | [283.12; 480.95] |
|
| η | 0.0034472 | Pa×s | 283.12 | Joback Calculated Property |
| η | 0.0019084 | Pa×s | 316.09 | Joback Calculated Property |
| η | 0.0011814 | Pa×s | 349.06 | Joback Calculated Property |
| η | 0.0007945 | Pa×s | 382.03 | Joback Calculated Property |
| η | 0.0005690 | Pa×s | 415.01 | Joback Calculated Property |
| η | 0.0004281 | Pa×s | 447.98 | Joback Calculated Property |
| η | 0.0003349 | Pa×s | 480.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-chloro-3-oxo-, methyl ester.
Sources
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