- InChI
- InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
- InChI Key
- MRUDNSFOFOQZDA-UHFFFAOYSA-N
- Formula
- C7H4Cl2O2
- SMILES
- O=C(O)c1c(Cl)cccc1Cl
- Molecular Weight1
- 191.01
- CAS
- 50-30-6
- Other Names
-
- 2,6-Dichlorobenzoic acid
- 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 | 0.6742 | Relay (1.0) Calculated Property | |
| ΔfG° | -266.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.692 | Crippen Calculated Property | |
| McVol | 117.650 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Tboil | 542.14 | K | Relay (1.0) Calculated Property |
| Tc | 820.88 | K | Relay (1.0) Calculated Property |
| Tfus | 415.00 ± 2.00 | K | NIST |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.25; 283.18] | 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 | 2.16000e+01 | |||
| Coefficient B | 5.35300e-01 | |||
| Coefficient C | -3.67520e-04 | |||
| Coefficient D | 9.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 229.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 244.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 257.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 267.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 275.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 283.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012591; 0.0002799] | Pa×s | [415.00; 601.61] |
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 | -1.15257e+01 | |||
| Coefficient B | 2.01204e+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. | 415.00 | |||
| Temperature range, max. | 601.61 | |||
| η | 0.0012591 | Pa×s | 415.00 | Calculated Property |
| η | 0.0009997 | Pa×s | 435.73 | Calculated Property |
| η | 0.0008105 | Pa×s | 456.47 | Calculated Property |
| η | 0.0006693 | Pa×s | 477.20 | Calculated Property |
| η | 0.0005615 | Pa×s | 497.94 | Calculated Property |
| η | 0.0004777 | Pa×s | 518.67 | Calculated Property |
| η | 0.0004116 | Pa×s | 539.40 | Calculated Property |
| η | 0.0003585 | Pa×s | 560.14 | Calculated Property |
| η | 0.0003153 | Pa×s | 580.87 | Calculated Property |
| η | 0.0002799 | Pa×s | 601.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,6-dichloro-.
Sources
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