- InChI
- InChI=1S/C9H6ClF3O3/c1-15-5-2-3-7(6(10)4-5)16-8(14)9(11,12)13/h2-4H,1H3
- InChI Key
- NBNMHUODJBUULW-UHFFFAOYSA-N
- Formula
- C9H6ClF3O3
- SMILES
- COc1ccc(OC(=O)C(F)(F)F)c(Cl)c1
- Molecular Weight1
- 254.59
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5389 | Relay (... Calculated Property | |
| ΔfG° | -814.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1040.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.49 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -3.14 | Relay (... Calculated Property | |
| logPoct/wat | 2.816 | Crippen Calculated Property | |
| McVol | 144.770 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | [1250.00; 1250.00] |
|
|
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Tboil | 479.88 | K | Relay (... Calculated Property |
| Tc | 679.90 | K | Relay (... Calculated Property |
| Tfus | 295.79 | K | Relay (... Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.00; 382.36] | J/mol×K | [572.68; 774.86] |
|
| Cp,gas | 331.00 | J/mol×K | 572.68 | Joback Calculated Property |
| Cp,gas | 341.06 | J/mol×K | 606.38 | Joback Calculated Property |
| Cp,gas | 350.50 | J/mol×K | 640.07 | Joback Calculated Property |
| Cp,gas | 359.35 | J/mol×K | 673.77 | Joback Calculated Property |
| Cp,gas | 367.59 | J/mol×K | 707.47 | Joback Calculated Property |
| Cp,gas | 375.26 | J/mol×K | 741.16 | Joback Calculated Property |
| Cp,gas | 382.36 | J/mol×K | 774.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-4-methoxyphenol, trifluoroacetate.
Sources
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