- InChI
- InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
- InChI Key
- PGJYYCIOYBZTPU-UHFFFAOYSA-N
- Formula
- C7H3F5O
- SMILES
- OCc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 198.09
- CAS
- 440-60-8
- Other Names
-
- Pentafluorobenzyl alcohol
- Benzenemethanol, 2,3,4,5,6-pentafluoro-
- Benzyl alcohol, 2,3,4,5,6-pentafluoro-
- (Hydroxymethyl)pentafluorobenzene
- (Pentafluorophenyl)methanol
- 2,3,4,5,6-pentafluorobenzylic alcohol
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6468 | Relay (1.0) Calculated Property | |
| ΔfG° | -1038.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -928.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.874 | Crippen Calculated Property | |
| McVol | 100.450 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Tboil | [454.00; 454.20] | K |
|
| Tboil | 454.00 ± 1.00 | K | NIST |
| Tboil | 454.20 | K | NIST |
| Tc | 651.66 | K | Relay (1.0) Calculated Property |
| Tfus | 324.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.50; 255.61] | J/mol×K | [499.67; 661.64] |
|
| Cp,gas | 222.50 | J/mol×K | 499.67 | Joback Calculated Property |
| Cp,gas | 228.55 | J/mol×K | 526.66 | Joback Calculated Property |
| Cp,gas | 234.39 | J/mol×K | 553.66 | Joback Calculated Property |
| Cp,gas | 240.01 | J/mol×K | 580.65 | Joback Calculated Property |
| Cp,gas | 245.42 | J/mol×K | 607.65 | Joback Calculated Property |
| Cp,gas | 250.62 | J/mol×K | 634.64 | Joback Calculated Property |
| Cp,gas | 255.61 | J/mol×K | 661.64 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.70 | K | 8.00 | NIST |
Similar Compounds
Find more compounds similar to 2,3,4,5,6-Pentafluorobenzyl alcohol.
Sources
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