- InChI
- InChI=1S/C11H6ClF7O2/c12-7-3-1-2-6(4-7)8(20)21-5-9(13,14)10(15,16)11(17,18)19/h1-4H,5H2
- InChI Key
- YBUZSRFMUARWRZ-UHFFFAOYSA-N
- Formula
- C11H6ClF7O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c
1cccc(Cl)c1 - Molecular Weight1
- 338.61
- 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.
- 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° | -1456.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1704.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 4.330 | Crippen Calculated Property | |
| McVol | 174.160 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [1256.00; 1256.00] |
|
|
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Tboil | 581.66 | K | Joback Calculated Property |
| Tc | 765.71 | K | Joback Calculated Property |
| Tfus | 366.14 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.80; 495.49] | J/mol×K | [581.66; 765.71] |
|
| Cp,gas | 440.80 | J/mol×K | 581.66 | Joback Calculated Property |
| Cp,gas | 451.94 | J/mol×K | 612.33 | Joback Calculated Property |
| Cp,gas | 462.20 | J/mol×K | 643.01 | Joback Calculated Property |
| Cp,gas | 471.63 | J/mol×K | 673.68 | Joback Calculated Property |
| Cp,gas | 480.29 | J/mol×K | 704.36 | Joback Calculated Property |
| Cp,gas | 488.22 | J/mol×K | 735.03 | Joback Calculated Property |
| Cp,gas | 495.49 | J/mol×K | 765.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester.
Sources
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