- InChI
- InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
- InChI Key
- UOQXIWFBQSVDPP-UHFFFAOYSA-N
- Formula
- C7H5FO
- SMILES
- O=Cc1ccc(F)cc1
- Molecular Weight1
- 124.11
- CAS
- 459-57-4
- Other Names
-
- Benzaldehyde, p-fluoro-
- p-Fluorobenzaldehyde
- 4-Fluorobenzaldehyde
- para-Fluorobenzaldehyde
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 827.10 | kJ/mol | NIST |
| BasG | 795.30 | kJ/mol | NIST |
| EA | 0.49 ± 0.02 | eV | NIST |
| ΔfG° | -183.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.02 | kJ/mol | Joback Calculated Property |
| IE | 9.60 | eV | NIST |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.638 | Crippen Calculated Property | |
| McVol | 89.070 | ml/mol | McGowan Calculated Property |
| Pc | 4189.32 | kPa | Joback Calculated Property |
| Inp | [936.00; 948.30] |
|
|
| Inp | 942.50 | NIST | |
| Inp | 948.30 | NIST | |
| Inp | 936.00 | NIST | |
| Tboil | 452.50 ± 0.50 | K | NIST |
| Tc | 647.38 | K | Joback Calculated Property |
| Tfus | 250.18 | K | Joback Calculated Property |
| Vc | 0.354 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.02; 211.05] | J/mol×K | [439.15; 647.38] |
|
| Cp,gas | 164.02 | J/mol×K | 439.15 | Joback Calculated Property |
| Cp,gas | 173.14 | J/mol×K | 473.86 | Joback Calculated Property |
| Cp,gas | 181.71 | J/mol×K | 508.56 | Joback Calculated Property |
| Cp,gas | 189.77 | J/mol×K | 543.27 | Joback Calculated Property |
| Cp,gas | 197.34 | J/mol×K | 577.97 | Joback Calculated Property |
| Cp,gas | 204.42 | J/mol×K | 612.68 | Joback Calculated Property |
| Cp,gas | 211.05 | J/mol×K | 647.38 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 454.20 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4-fluoro-.
Sources
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