- InChI
- InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
- InChI Key
- QJXCFMJTJYCLFG-UHFFFAOYSA-N
- Formula
- C7HF5O
- SMILES
- O=Cc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 196.07
- CAS
- 653-37-2
- Other Names
-
- 2,3,4,5,6-Pentafluorobenzaldehyde
- Benzaldehyde, pentafluoro-
- Benzaldehyde, 2,3,4,5,6-pentafluoro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| EA | 1.10 ± 0.11 | eV | NIST |
| ΔfG° | -1001.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1074.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.40 | kJ/mol | Joback Calculated Property |
| IE | 10.35 | eV | NIST |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 96.150 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | [943.00; 943.00] |
|
|
| Inp | 943.00 | NIST | |
| Inp | 943.00 | NIST | |
| Tboil | [438.00; 438.20] | K |
|
| Tboil | 438.00 ± 1.00 | K | NIST |
| Tboil | 438.00 ± 1.00 | K | NIST |
| Tboil | 438.20 | K | NIST |
| Tc | 629.33 | K | Joback Calculated Property |
| Tfus | 302.62 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.90; 230.12] | J/mol×K | [456.15; 629.33] |
|
| Cp,gas | 197.90 | J/mol×K | 456.15 | Joback Calculated Property |
| Cp,gas | 203.81 | J/mol×K | 485.01 | Joback Calculated Property |
| Cp,gas | 209.51 | J/mol×K | 513.88 | Joback Calculated Property |
| Cp,gas | 214.98 | J/mol×K | 542.74 | Joback Calculated Property |
| Cp,gas | 220.25 | J/mol×K | 571.61 | Joback Calculated Property |
| Cp,gas | 225.29 | J/mol×K | 600.47 | Joback Calculated Property |
| Cp,gas | 230.12 | J/mol×K | 629.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzaldehyde.
Sources
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