- InChI
- InChI=1S/C9H6ClF3O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2
- InChI Key
- WRYXVYBIODRCTM-UHFFFAOYSA-N
- Formula
- C9H6ClF3O2
- SMILES
- O=C(OCc1ccc(Cl)cc1)C(F)(F)F
- Molecular Weight1
- 238.59
- CAS
- 38696-07-0
- Other Names
-
- 4-Chlorobenzyl alcohol, trifluoroacetate
- 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 | 0.4602 | Relay (1.0) Calculated Property | |
| ΔfG° | -699.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -902.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.946 | Crippen Calculated Property | |
| McVol | 138.900 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Inp | [1184.00; 1184.00] |
|
|
| Inp | 1184.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Tboil | 475.30 | K | Relay (1.0) Calculated Property |
| Tc | 650.16 | K | Relay (1.0) Calculated Property |
| Tfus | 266.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.43; 362.52] | J/mol×K | [545.28; 748.34] |
|
| Cp,gas | 309.43 | J/mol×K | 545.28 | Joback Calculated Property |
| Cp,gas | 319.98 | J/mol×K | 579.12 | Joback Calculated Property |
| Cp,gas | 329.81 | J/mol×K | 612.97 | Joback Calculated Property |
| Cp,gas | 338.95 | J/mol×K | 646.81 | Joback Calculated Property |
| Cp,gas | 347.43 | J/mol×K | 680.65 | Joback Calculated Property |
| Cp,gas | 355.28 | J/mol×K | 714.49 | Joback Calculated Property |
| Cp,gas | 362.52 | J/mol×K | 748.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid, 4-chlorobenzyl ester.
Sources
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