- InChI
- InChI=1S/C10H6ClF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
- InChI Key
- YNOUQZHJUWTECY-UHFFFAOYSA-N
- Formula
- C10H6ClF5O2
- SMILES
-
O=C(OCc1ccc(Cl)cc1)C(F)(F)C(F)
(F)F - Molecular Weight1
- 288.60
- CAS
- 958997-71-2
- 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 | 0.5101 | Relay (1.0) Calculated Property | |
| ΔfG° | -1078.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1340.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 156.530 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1193.00; 1193.00] |
|
|
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Tboil | 472.81 | K | Relay (1.0) Calculated Property |
| Tc | 641.23 | K | Relay (1.0) Calculated Property |
| Tfus | 256.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.559 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.47; 428.75] | J/mol×K | [563.47; 756.35] |
|
| Cp,gas | 374.47 | J/mol×K | 563.47 | Joback Calculated Property |
| Cp,gas | 385.42 | J/mol×K | 595.62 | Joback Calculated Property |
| Cp,gas | 395.55 | J/mol×K | 627.76 | Joback Calculated Property |
| Cp,gas | 404.90 | J/mol×K | 659.91 | Joback Calculated Property |
| Cp,gas | 413.52 | J/mol×K | 692.06 | Joback Calculated Property |
| Cp,gas | 421.46 | J/mol×K | 724.21 | Joback Calculated Property |
| Cp,gas | 428.75 | J/mol×K | 756.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzyl alcohol, pentafluoropropionate.
Sources
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