- InChI
- InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H
- InChI Key
- JBLIDPPHFGWTKU-UHFFFAOYSA-N
- Formula
- C7H3Cl3O
- SMILES
- O=C(Cl)c1c(Cl)cccc1Cl
- Molecular Weight1
- 209.46
- CAS
- 4659-45-4
- Other Names
-
- Benzoyl chloride, 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).
- 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 | 0.4698 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.372 | Crippen Calculated Property | |
| McVol | 124.020 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Tboil | 524.08 | K | Relay (1.0) Calculated Property |
| Tc | 770.46 | K | Relay (1.0) Calculated Property |
| Tfus | 290.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 415.70 | K | 2.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.96; 269.69] | 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 | 3.72500e+01 | |||
| Coefficient B | 4.63300e-01 | |||
| Coefficient C | -2.96620e-04 | |||
| Coefficient D | 6.57600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 206.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 221.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 235.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 246.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 255.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 263.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 269.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050106; 0.0003102] | Pa×s | [290.15; 564.63] |
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 | -1.10195e+01 | |||
| Coefficient B | 1.66061e+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. | 290.15 | |||
| Temperature range, max. | 564.63 | |||
| η | 0.0050106 | Pa×s | 290.15 | Calculated Property |
| η | 0.0029073 | Pa×s | 320.65 | Calculated Property |
| η | 0.0018541 | Pa×s | 351.15 | Calculated Property |
| η | 0.0012706 | Pa×s | 381.64 | Calculated Property |
| η | 0.0009208 | Pa×s | 412.14 | Calculated Property |
| η | 0.0006976 | Pa×s | 442.64 | Calculated Property |
| η | 0.0005478 | Pa×s | 473.14 | Calculated Property |
| η | 0.0004429 | Pa×s | 503.63 | Calculated Property |
| η | 0.0003669 | Pa×s | 534.13 | Calculated Property |
| η | 0.0003102 | Pa×s | 564.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dichlorobenzoyl chloride.
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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