- InChI
- InChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
- InChI Key
- DMIYKWPEFRFTPY-UHFFFAOYSA-N
- Formula
- C7H4Cl2O
- SMILES
- O=Cc1c(Cl)cccc1Cl
- Molecular Weight1
- 175.01
- Other Names
-
- Benzaldehyde, 2,6-dichloro-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.4196 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.806 | Crippen Calculated Property | |
| McVol | 111.780 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 511.58 | K | Relay (1.0) Calculated Property |
| Tc | 784.71 | K | Relay (1.0) Calculated Property |
| Tfus | [343.00; 344.15] | K |
|
| Tfus | 344.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 343.00 ± 3.00 | K | NIST |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.54; 263.18] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.84000e+01 | |||
| Coefficient B | 4.59000e-01 | |||
| Coefficient C | -2.87920e-04 | |||
| Coefficient D | 6.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 157.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 178.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 197.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 213.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 226.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 238.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 248.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 256.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 263.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014027; 0.0003268] | Pa×s | [343.57; 527.46] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.07481e+01 | |||
| Coefficient B | 1.43573e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 343.57 | |||
| Temperature range, max. | 527.46 | |||
| η | 0.0014027 | Pa×s | 343.57 | Calculated Property |
| η | 0.0011095 | Pa×s | 364.01 | Calculated Property |
| η | 0.0008996 | Pa×s | 384.44 | Calculated Property |
| η | 0.0007451 | Pa×s | 404.87 | Calculated Property |
| η | 0.0006284 | Pa×s | 425.30 | Calculated Property |
| η | 0.0005383 | Pa×s | 445.73 | Calculated Property |
| η | 0.0004674 | Pa×s | 466.16 | Calculated Property |
| η | 0.0004107 | Pa×s | 486.59 | Calculated Property |
| η | 0.0003647 | Pa×s | 507.02 | Calculated Property |
| η | 0.0003268 | Pa×s | 527.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dichlorobenzaldehyde.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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