- InChI
- InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
- InChI Key
- AVPYQKSLYISFPO-UHFFFAOYSA-N
- Formula
- C7H5ClO
- SMILES
- O=Cc1ccc(Cl)cc1
- Molecular Weight1
- 140.57
- CAS
- 104-88-1
- Other Names
-
- Benzaldehyde, p-chloro-
- p-Chlorobenzaldehyde
- 4-Chlorobenzaldehyde
- p-Chlorobenzenecarboxaldehyde
- 4-Chlorbenzaldehyd
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 831.30 | kJ/mol | NIST |
| BasG | 799.40 | kJ/mol | NIST |
| ΔcH°solid | -3346.40 ± 8.40 | kJ/mol | NIST |
| EA | [0.66; 0.68] | eV |
|
| EA | 0.66 ± 0.09 | eV | NIST |
| EA | 0.68 ± 0.09 | eV | NIST |
| ΔfG° | -0.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.22 | kJ/mol | Joback Calculated Property |
| IE | [9.57; 9.61] | eV |
|
| IE | 9.61 ± 0.01 | eV | NIST |
| IE | 9.57 | eV | NIST |
| IE | 9.59 | eV | NIST |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 99.540 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Inp | [1107.00; 1137.00] |
|
|
| Inp | 1116.00 | NIST | |
| Inp | 1122.60 | NIST | |
| Inp | 1113.20 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Tboil | 486.70 | K | NIST |
| Tc | 704.10 | K | Joback Calculated Property |
| Tfus | 319.85 ± 1.00 | K | NIST |
| Vc | 0.386 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.88; 223.42] | J/mol×K | [477.31; 704.10] |
|
| Cp,gas | 177.88 | J/mol×K | 477.31 | Joback Calculated Property |
| Cp,gas | 186.90 | J/mol×K | 515.11 | Joback Calculated Property |
| Cp,gas | 195.31 | J/mol×K | 552.91 | Joback Calculated Property |
| Cp,gas | 203.14 | J/mol×K | 590.70 | Joback Calculated Property |
| Cp,gas | 210.42 | J/mol×K | 628.50 | Joback Calculated Property |
| Cp,gas | 217.17 | J/mol×K | 666.30 | Joback Calculated Property |
| Cp,gas | 223.42 | J/mol×K | 704.10 | Joback Calculated Property |
| η | [0.0003318; 0.0023338] | Pa×s | [279.51; 477.31] |
|
| η | 0.0023338 | Pa×s | 279.51 | Joback Calculated Property |
| η | 0.0014204 | Pa×s | 312.48 | Joback Calculated Property |
| η | 0.0009504 | Pa×s | 345.44 | Joback Calculated Property |
| η | 0.0006820 | Pa×s | 378.41 | Joback Calculated Property |
| η | 0.0005162 | Pa×s | 411.38 | Joback Calculated Property |
| η | 0.0004071 | Pa×s | 444.34 | Joback Calculated Property |
| η | 0.0003318 | Pa×s | 477.31 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 346.70 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4-chloro-.
Sources
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