- InChI
- InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
- InChI Key
- CXKCZFDUOYMOOP-UHFFFAOYSA-N
- Formula
- C7H4Cl2O2
- SMILES
- O=C(O)c1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 191.01
- Other Names
-
- Benzoic acid, 3,5-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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6789 | Relay (1.0) Calculated Property | |
| ΔfG° | -266.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | 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 | 546.46 | K | Relay (1.0) Calculated Property |
| Tc | 806.91 | K | Relay (1.0) Calculated Property |
| Tfus | [459.15; 460.51] | K |
|
| Tfus | 459.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 460.51 ± 0.20 | K | NIST |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 22.97 | kJ/mol | 459.30 | NIST |
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 | [0.0007848; 0.0002799] | Pa×s | [459.83; 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. | 459.83 | |||
| Temperature range, max. | 601.61 | |||
| η | 0.0007848 | Pa×s | 459.83 | Calculated Property |
| η | 0.0006789 | Pa×s | 475.58 | Calculated Property |
| η | 0.0005928 | Pa×s | 491.34 | Calculated Property |
| η | 0.0005220 | Pa×s | 507.09 | Calculated Property |
| η | 0.0004632 | Pa×s | 522.84 | Calculated Property |
| η | 0.0004139 | Pa×s | 538.59 | Calculated Property |
| η | 0.0003722 | Pa×s | 554.35 | Calculated Property |
| η | 0.0003367 | Pa×s | 570.10 | Calculated Property |
| η | 0.0003062 | Pa×s | 585.85 | Calculated Property |
| η | 0.0002799 | Pa×s | 601.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dichlorobenzoic acid.
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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