![Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester](/cid/41-386-8/Acetic-acid-2-3-dichloro-4-2-methylene-1-oxobutyl-phenoxy-methyl-ester.png "Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester")
- InChI
- InChI=1S/C14H14Cl2O4/c1-4-8(2)14(18)9-5-6-10(13(16)12(9)15)20-7-11(17)19-3/h5-6H,2,4,7H2,1,3H3
- InChI Key
- XFNMYPXAINMYAC-UHFFFAOYSA-N
- Formula
- C14H14Cl2O4
- SMILES
-
C=C(CC)C(=O)c1ccc(OCC(=O)OC)c(
Cl)c1Cl - Molecular Weight1
- 317.17
- CAS
- 6463-21-4
- Other Names
-
- Ethacrynic acid, methyl ester
- Ethacrynic acid, methylated
- Acetic acid, 2-[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester
- Methyl ethacrynate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.7608 | Relay (1.0) Calculated Property | |
| ΔfG° | -261.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.694 | Crippen Calculated Property | |
| McVol | 219.420 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | [2195.00; 2195.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Tboil | 611.87 | K | Relay (1.0) Calculated Property |
| Tc | 850.44 | K | Relay (1.0) Calculated Property |
| Tfus | 361.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.64; 617.78] | J/mol×K | [785.34; 1005.59] |
|
| Cp,gas | 561.64 | J/mol×K | 785.34 | Joback Calculated Property |
| Cp,gas | 573.25 | J/mol×K | 822.05 | Joback Calculated Property |
| Cp,gas | 583.94 | J/mol×K | 858.76 | Joback Calculated Property |
| Cp,gas | 593.74 | J/mol×K | 895.47 | Joback Calculated Property |
| Cp,gas | 602.64 | J/mol×K | 932.18 | Joback Calculated Property |
| Cp,gas | 610.66 | J/mol×K | 968.88 | Joback Calculated Property |
| Cp,gas | 617.78 | J/mol×K | 1005.59 | Joback Calculated Property |
Similar Compounds
Sources
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