- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.96; 269.74] | J/mol×K | [616.77; 859.44] | 
|
| Cp,gas | 233.96 | J/mol×K | 616.77 | Joback Calculated Property |
| Cp,gas | 241.29 | J/mol×K | 657.21 | Joback Calculated Property |
| Cp,gas | 248.03 | J/mol×K | 697.66 | Joback Calculated Property |
| Cp,gas | 254.20 | J/mol×K | 738.10 | Joback Calculated Property |
| Cp,gas | 259.85 | J/mol×K | 778.55 | Joback Calculated Property |
| Cp,gas | 265.02 | J/mol×K | 818.99 | Joback Calculated Property |
| Cp,gas | 269.74 | J/mol×K | 859.44 | Joback Calculated Property |
| η | [0.0002578; 0.0009505] | Pa×s | [440.55; 616.77] |
|
| η | 0.0009505 | Pa×s | 440.55 | Joback Calculated Property |
| η | 0.0007145 | Pa×s | 469.92 | Joback Calculated Property |
| η | 0.0005554 | Pa×s | 499.29 | Joback Calculated Property |
| η | 0.0004440 | Pa×s | 528.66 | Joback Calculated Property |
| η | 0.0003634 | Pa×s | 558.03 | Joback Calculated Property |
| η | 0.0003034 | Pa×s | 587.40 | Joback Calculated Property |
| η | 0.0002578 | Pa×s | 616.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,6-dichloro-.
Sources
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