- InChI
- InChI=1S/C11H6ClF7O3/c1-21-5-2-3-7(6(12)4-5)22-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
- InChI Key
- ICQDSAFHGWEURK-UHFFFAOYSA-N
- Formula
- C11H6ClF7O3
- SMILES
-
COc1ccc(OC(=O)C(F)(F)C(F)(F)C(
F)(F)F)c(Cl)c1 - Molecular Weight1
- 354.61
- 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° | -1571.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1848.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.087 | Crippen Calculated Property | |
| McVol | 180.030 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [1318.00; 1318.00] |
|
|
| Inp | 1318.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Tboil | 609.06 | K | Joback Calculated Property |
| Tc | 793.08 | K | Joback Calculated Property |
| Tfus | 400.89 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.91; 516.19] | J/mol×K | [609.06; 793.08] |
|
| Cp,gas | 463.91 | J/mol×K | 609.06 | Joback Calculated Property |
| Cp,gas | 474.46 | J/mol×K | 639.73 | Joback Calculated Property |
| Cp,gas | 484.22 | J/mol×K | 670.40 | Joback Calculated Property |
| Cp,gas | 493.23 | J/mol×K | 701.07 | Joback Calculated Property |
| Cp,gas | 501.53 | J/mol×K | 731.74 | Joback Calculated Property |
| Cp,gas | 509.17 | J/mol×K | 762.41 | Joback Calculated Property |
| Cp,gas | 516.19 | J/mol×K | 793.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-4-methoxyphenol, heptafluorobutyrate.
Sources
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