- InChI
- InChI=1S/C16H9Cl2F5O3/c1-6(26-10-3-2-7(17)4-9(10)18)16(24)25-5-8-11(19)13(21)15(23)14(22)12(8)20/h2-4,6H,5H2,1H3
- InChI Key
- PCROGCAYPVHGSU-UHFFFAOYSA-N
- Formula
- C16H9Cl2F5O3
- SMILES
-
CC(Oc1ccc(Cl)cc1Cl)C(=O)OCc1c(
F)c(F)c(F)c(F)c1F - Molecular Weight1
- 415.14
- Other Names
-
- Dichlorprop, PFB
- Dichlorprop, PFB ester
- 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° | -1098.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1375.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | 5.200 | Crippen Calculated Property | |
| McVol | 235.420 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | [2035.00; 2043.00] |
|
|
| Inp | 2038.00 | NIST | |
| Inp | 2043.00 | NIST | |
| Inp | 2035.00 | NIST | |
| I | [2757.00; 2790.00] |
|
|
| I | 2757.00 | NIST | |
| I | 2758.00 | NIST | |
| I | 2790.00 | NIST | |
| I | 2757.00 | NIST | |
| Tboil | 823.18 | K | Joback Calculated Property |
| Tc | 1029.67 | K | Joback Calculated Property |
| Tfus | 552.74 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.83; 669.67] | J/mol×K | [823.18; 1029.67] |
|
| Cp,gas | 622.83 | J/mol×K | 823.18 | Joback Calculated Property |
| Cp,gas | 632.84 | J/mol×K | 857.59 | Joback Calculated Property |
| Cp,gas | 641.97 | J/mol×K | 892.01 | Joback Calculated Property |
| Cp,gas | 650.22 | J/mol×K | 926.42 | Joback Calculated Property |
| Cp,gas | 657.59 | J/mol×K | 960.84 | Joback Calculated Property |
| Cp,gas | 664.08 | J/mol×K | 995.25 | Joback Calculated Property |
| Cp,gas | 669.67 | J/mol×K | 1029.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-DP, PFB ester.
Sources
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