- InChI
- InChI=1S/C16H8Cl3F5O3/c1-5(27-10-3-8(18)7(17)2-9(10)19)16(25)26-4-6-11(20)13(22)15(24)14(23)12(6)21/h2-3,5H,4H2,1H3
- InChI Key
- ITZPCMBEXLNDBH-UHFFFAOYSA-N
- Formula
- C16H8Cl3F5O3
- SMILES
-
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OC
c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 449.58
- Other Names
-
- 2,4,5-TP PFB ester
- Fenoprop, 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° | -1119.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1402.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.31 | kJ/mol | Joback Calculated Property |
| log10WS | -7.64 | Crippen Calculated Property | |
| logPoct/wat | 5.853 | Crippen Calculated Property | |
| McVol | 247.660 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | [2170.00; 2179.00] |
|
|
| Inp | 2173.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Inp | 2170.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Inp | 2170.00 | NIST | |
| I | [2902.00; 2936.00] |
|
|
| I | 2902.00 | NIST | |
| I | 2902.00 | NIST | |
| I | 2936.00 | NIST | |
| I | 2902.00 | NIST | |
| I | 2936.00 | NIST | |
| Tboil | 865.59 | K | Joback Calculated Property |
| Tc | 1077.20 | K | Joback Calculated Property |
| Tfus | 595.18 | K | Joback Calculated Property |
| Vc | 0.989 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.24; 680.58] | J/mol×K | [865.59; 1077.20] |
|
| Cp,gas | 641.24 | J/mol×K | 865.59 | Joback Calculated Property |
| Cp,gas | 650.12 | J/mol×K | 900.86 | Joback Calculated Property |
| Cp,gas | 658.08 | J/mol×K | 936.13 | Joback Calculated Property |
| Cp,gas | 665.11 | J/mol×K | 971.39 | Joback Calculated Property |
| Cp,gas | 671.21 | J/mol×K | 1006.66 | Joback Calculated Property |
| Cp,gas | 676.37 | J/mol×K | 1041.93 | Joback Calculated Property |
| Cp,gas | 680.58 | J/mol×K | 1077.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Silvex, PFB ester.
Sources
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