- InChI
- InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
- InChI Key
- XRHGYUZYPHTUJZ-UHFFFAOYSA-N
- Formula
- C7H5ClO2
- SMILES
- O=C(O)c1ccc(Cl)cc1
- Molecular Weight1
- 156.57
- CAS
- 74-11-3
- Other Names
-
- 4-Chlorobenzoic acid
- Acido p-clorobenzoico
- Benzoic acid, p-chloro-
- Chlorodracylic acid
- p-Carboxychlorobenzene
- p-Chlorbenzoic acid
- p-Chlorobenzoic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfG° | -166.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.80 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | [-430.70; -427.00] | kJ/mol |
|
| ΔfH°solid | -427.30 ± 0.20 | kJ/mol | NIST |
| ΔfH°solid | -429.30 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | -428.90 ± 1.00 | kJ/mol | NIST |
| ΔfH°solid | -430.70 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -430.00 ± 1.80 | kJ/mol | NIST |
| ΔfH°solid | -427.90 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | -430.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°solid | -427.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 30.91 | kJ/mol | Thermod... |
| ΔsubH° | [102.50; 107.90] | kJ/mol |
|
| ΔsubH° | 105.20 ± 0.70 | kJ/mol | NIST |
| ΔsubH° | 102.50 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 102.50 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 107.90 | kJ/mol | NIST |
| ΔvapH° | 61.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Aq. Sol... | |
| logPoct/wat | 2.038 | Crippen Calculated Property | |
| McVol | 105.410 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Inp | [1336.00; 1336.00] |
|
|
| Inp | 1336.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Tboil | 574.70 | K | Joback Calculated Property |
| Tc | 789.74 | K | Joback Calculated Property |
| Tfus | [511.00; 514.90] | K |
|
| Tfus | Outlier 514.90 | K | Aq. Sol... |
| Tfus | 512.85 | K | KDB |
| Tfus | 512.50 | K | Abraham... |
| Tfus | 511.00 ± 3.00 | K | NIST |
| Tfus | 512.00 ± 3.00 | K | NIST |
| Tfus | 512.90 ± 4.00 | K | NIST |
| Tfus | 512.85 ± 0.40 | K | NIST |
| Vc | 0.394 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.61; 251.74] | J/mol×K | [574.70; 789.74] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 210 220 230 240 250 600 650 700 750 | ||||
| Cp,gas | 213.61 | J/mol×K | 574.70 | Joback Calculated Property |
| Cp,gas | 221.19 | J/mol×K | 610.54 | Joback Calculated Property |
| Cp,gas | 228.25 | J/mol×K | 646.38 | Joback Calculated Property |
| Cp,gas | 234.81 | J/mol×K | 682.22 | Joback Calculated Property |
| Cp,gas | 240.90 | J/mol×K | 718.06 | Joback Calculated Property |
| Cp,gas | 246.53 | J/mol×K | 753.90 | Joback Calculated Property |
| Cp,gas | 251.74 | J/mol×K | 789.74 | Joback Calculated Property |
| Cp,solid | 167.80 | J/mol×K | 298.00 | NIST |
| η | [0.0001260; 0.0041518] | Pa×s | [348.26; 574.70] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 400 500 | ||||
| η | 0.0041518 | Pa×s | 348.26 | Joback Calculated Property |
| η | 0.0017443 | Pa×s | 386.00 | Joback Calculated Property |
| η | 0.0008553 | Pa×s | 423.74 | Joback Calculated Property |
| η | 0.0004712 | Pa×s | 461.48 | Joback Calculated Property |
| η | 0.0002841 | Pa×s | 499.22 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 536.96 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 574.70 | Joback Calculated Property |
| ΔfusH | [13.50; 34.26] | kJ/mol | [330.00; 513.53] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 15 20 25 30 35 350 400 450 500 | ||||
| ΔfusH | 13.50 | kJ/mol | 330.00 | NIST |
| ΔfusH | 30.91 | kJ/mol | 512.50 | NIST |
| ΔfusH | 32.26 | kJ/mol | 512.90 | NIST |
| ΔfusH | 32.26 | kJ/mol | 512.90 | NIST |
| ΔfusH | 32.26 | kJ/mol | 512.90 | NIST |
| ΔfusH | 34.26 | kJ/mol | 513.50 | NIST |
| ΔfusH | 34.26 | kJ/mol | 513.53 | NIST |
| ΔsubH | [88.00; 103.30] | kJ/mol | [333.00; 413.00] |
|
| ΔsubH | 88.00 ± 2.00 | kJ/mol | 333.00 | NIST |
| ΔsubH | 103.30 ± 0.50 | kJ/mol | 344.50 | NIST |
| ΔsubH | 101.90 | kJ/mol | 413.00 | NIST |
| ΔfusS | 62.90 | J/mol×K | 512.90 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-chloro-.
Mixtures
Sources
- Crippen Method
- Thermodynamic study of the sublimation of six halobenzoic acids
- Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.