- InChI
- InChI=1S/C16H10ClF5O3/c1-7-4-8(17)2-3-10(7)24-6-11(23)25-5-9-12(18)14(20)16(22)15(21)13(9)19/h2-4H,5-6H2,1H3
- InChI Key
- SXGAQQYJZZFKIY-UHFFFAOYSA-N
- Formula
- C16H10ClF5O3
- SMILES
-
Cc1cc(Cl)ccc1OCC(=O)OCc1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 380.69
- CAS
- 61443-55-8
- Other Names
-
- MCPA, PFB
- MCPA 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° | -1083.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1354.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 4.466 | Crippen Calculated Property | |
| McVol | 223.180 | ml/mol | McGowan Calculated Property |
| Pc | 1693.51 | kPa | Joback Calculated Property |
| Inp | [2014.00; 2020.00] |
|
|
| Inp | 2015.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Inp | 2014.00 | NIST | |
| I | [2819.00; 2852.00] |
|
|
| I | 2819.00 | NIST | |
| I | 2820.00 | NIST | |
| I | 2852.00 | NIST | |
| I | 2819.00 | NIST | |
| Tboil | 786.19 | K | Joback Calculated Property |
| Tc | 986.08 | K | Joback Calculated Property |
| Tfus | 537.82 | K | Joback Calculated Property |
| Vc | 0.896 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.36; 653.50] | J/mol×K | [786.19; 986.08] |
|
| Cp,gas | 600.36 | J/mol×K | 786.19 | Joback Calculated Property |
| Cp,gas | 611.26 | J/mol×K | 819.50 | Joback Calculated Property |
| Cp,gas | 621.35 | J/mol×K | 852.82 | Joback Calculated Property |
| Cp,gas | 630.63 | J/mol×K | 886.13 | Joback Calculated Property |
| Cp,gas | 639.08 | J/mol×K | 919.45 | Joback Calculated Property |
| Cp,gas | 646.71 | J/mol×K | 952.76 | Joback Calculated Property |
| Cp,gas | 653.50 | J/mol×K | 986.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4-Chloro-2-methylphenoxy)acetic acid, pentafluorobenzyl ester.
Sources
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