- InChI
- InChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3
- InChI Key
- OPGCOAPTHCZZIW-UHFFFAOYSA-N
- Formula
- C16H18Cl2N2O4
- SMILES
-
CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C
(C)(C(=O)OCC)C1 - Molecular Weight1
- 373.23
- CAS
- 135590-91-9
- Other Names
-
- Diethyl (RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxilate
- Diethyl -1-(2,4-dichlorophenyl)-4,5-dihyfro-5-methyl-1H-pyrazole-3,5-dicarboxilate
- 1H-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-, 3,5-diethyl ester
- 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid, diethyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7626 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -576.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| McVol | 256.700 | ml/mol | McGowan Calculated Property |
| Pc | 1613.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2427.00; 2427.00] |
|
|
| Inp | 2427.00 | NIST | |
| Inp | 2427.00 | NIST | |
| Tboil | 635.49 | K | Relay (1.0) Calculated Property |
| Tc | 905.78 | K | Relay (1.0) Calculated Property |
| Tfus | 344.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.920 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mefenpyr-diethyl.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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