- InChI
- InChI=1S/C11H13ClO3/c1-7-6-9(12)4-5-10(7)15-8(2)11(13)14-3/h4-6,8H,1-3H3
- InChI Key
- YWGAULPFWIQKRB-UHFFFAOYSA-N
- Formula
- C11H13ClO3
- SMILES
- COC(=O)C(C)Oc1ccc(Cl)cc1C
- Molecular Weight1
- 228.67
- CAS
- 23844-56-6
- Other Names
-
- MCPP ester
- Propanoic acid, 2-(2-methyl-4-chlorophenyloxy)-, methyl ester
- CMPP methyl ester
- MCPP methyl ester
- Mecoprop-Methyl
- Propanoic acid, 2-(4-chloro-2-methylphenoxy), methyl ester
- Methyl 2-(4-chloro-2-methylphenoxy)propanoate
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -218.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.24 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.589 | Crippen Calculated Property | |
| McVol | 167.640 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [1514.00; 1538.00] |
|
|
| Inp | 1514.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1519.00 | NIST | |
| I | [2115.00; 2115.00] |
|
|
| I | 2115.00 | NIST | |
| I | 2115.00 | NIST | |
| Tboil | 623.42 | K | Joback Calculated Property |
| Tc | 840.62 | K | Joback Calculated Property |
| Tfus | 374.50 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.79; 464.69] | J/mol×K | [623.42; 840.62] |
|
| Cp,gas | 396.79 | J/mol×K | 623.42 | Joback Calculated Property |
| Cp,gas | 409.98 | J/mol×K | 659.62 | Joback Calculated Property |
| Cp,gas | 422.42 | J/mol×K | 695.82 | Joback Calculated Property |
| Cp,gas | 434.12 | J/mol×K | 732.02 | Joback Calculated Property |
| Cp,gas | 445.07 | J/mol×K | 768.22 | Joback Calculated Property |
| Cp,gas | 455.26 | J/mol×K | 804.42 | Joback Calculated Property |
| Cp,gas | 464.69 | J/mol×K | 840.62 | Joback Calculated Property |
| η | [0.0001398; 0.0011503] | Pa×s | [374.50; 623.42] |
|
| η | 0.0011503 | Pa×s | 374.50 | Joback Calculated Property |
| η | 0.0006796 | Pa×s | 415.99 | Joback Calculated Property |
| η | 0.0004417 | Pa×s | 457.47 | Joback Calculated Property |
| η | 0.0003084 | Pa×s | 498.96 | Joback Calculated Property |
| η | 0.0002275 | Pa×s | 540.45 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 581.93 | Joback Calculated Property |
| η | 0.0001398 | Pa×s | 623.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mecoprop methyl ester.
Sources
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