- InChI
- InChI=1S/C17H12ClF5O3/c1-7-5-9(18)3-4-11(7)26-8(2)17(24)25-6-10-12(19)14(21)16(23)15(22)13(10)20/h3-5,8H,6H2,1-2H3
- InChI Key
- SJFSFUDCTAJWJN-UHFFFAOYSA-N
- Formula
- C17H12ClF5O3
- SMILES
-
Cc1cc(Cl)ccc1OC(C)C(=O)OCc1c(F
)c(F)c(F)c(F)c1F - Molecular Weight1
- 394.72
- Other Names
-
- Mecoprop, PFB ester
- Mecoprop, PFB
- 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).
- 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° | -1077.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1380.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.10 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 4.855 | Crippen Calculated Property | |
| McVol | 237.270 | ml/mol | McGowan Calculated Property |
| Pc | 1577.21 | kPa | Joback Calculated Property |
| Inp | [1974.00; 1977.00] |
|
|
| Inp | 1974.00 | NIST | |
| Inp | 1977.00 | NIST | |
| I | [2619.00; 2620.00] |
|
|
| I | 2619.00 | NIST | |
| I | 2620.00 | NIST | |
| Tboil | 808.63 | K | Joback Calculated Property |
| Tc | 1010.29 | K | Joback Calculated Property |
| Tfus | 534.09 | K | Joback Calculated Property |
| Vc | 0.947 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.17; 710.24] | J/mol×K | [808.63; 1010.29] |
|
| Cp,gas | 655.17 | J/mol×K | 808.63 | Joback Calculated Property |
| Cp,gas | 666.60 | J/mol×K | 842.24 | Joback Calculated Property |
| Cp,gas | 677.12 | J/mol×K | 875.85 | Joback Calculated Property |
| Cp,gas | 686.76 | J/mol×K | 909.46 | Joback Calculated Property |
| Cp,gas | 695.49 | J/mol×K | 943.07 | Joback Calculated Property |
| Cp,gas | 703.32 | J/mol×K | 976.68 | Joback Calculated Property |
| Cp,gas | 710.24 | J/mol×K | 1010.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to MCPP PFB ester.
Sources
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