- InChI
- InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
- InChI Key
- LULAYUGMBFYYEX-UHFFFAOYSA-N
- Formula
- C7H5ClO2
- SMILES
- O=C(O)c1cccc(Cl)c1
- Molecular Weight1
- 156.57
- CAS
- 535-80-8
- Other Names
-
- 3-chlorobenzoic acid
- Acido m-clorobenzoico
- Benzoic acid, m-chloro-
- m-chlorobenzoic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6387 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-3069.40; -3009.65] | kJ/mol |
|
| ΔcH°solid | -3009.65 ± 0.57 | kJ/mol | NIST |
| ΔcH°solid | -3068.10 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -3069.40 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -245.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.80 ± 0.90 | kJ/mol | NIST |
| ΔfH°solid | [-424.60; -423.20] | kJ/mol |
|
| ΔfH°solid | -423.20 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | -424.60 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 23.67 | kJ/mol | Thermodynamic study of the sublimation of six halobenzoic acids |
| ΔsubH° | [101.40; 105.80] | kJ/mol |
|
| ΔsubH° | 102.50 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 101.40 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 101.40 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 105.80 | kJ/mol | NIST |
| ΔvapH° | 85.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Aq. Solubility Prediction | |
| logPoct/wat | 2.038 | Crippen Calculated Property | |
| McVol | 105.410 | ml/mol | McGowan Calculated Property |
| Pc | 4316.89 | kPa | Joback Calculated Property |
| Tboil | 536.77 | K | Relay (1.0) Calculated Property |
| Tc | 790.86 | K | Relay (1.0) Calculated Property |
| Tfus | [427.40; 427.40] | K |
|
| Tfus | 427.40 | K | KDB |
| Tfus | 427.40 ± 0.30 | K | NIST |
| Tfus | 427.40 ± 0.30 | K | NIST |
| Vc | 0.375 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.29; 257.59] | J/mol×K | [574.36; 812.49] |
|
| Cp,gas | 216.29 | J/mol×K | 574.36 | Joback Calculated Property |
| Cp,gas | 224.71 | J/mol×K | 614.05 | Joback Calculated Property |
| Cp,gas | 232.46 | J/mol×K | 653.74 | Joback Calculated Property |
| Cp,gas | 239.58 | J/mol×K | 693.42 | Joback Calculated Property |
| Cp,gas | 246.11 | J/mol×K | 733.11 | Joback Calculated Property |
| Cp,gas | 252.10 | J/mol×K | 772.80 | Joback Calculated Property |
| Cp,gas | 257.59 | J/mol×K | 812.49 | Joback Calculated Property |
| Cp,solid | 163.60 | J/mol×K | 298.00 | NIST |
| η | [0.0002664; 0.0011453] | Pa×s | [398.11; 574.36] |
|
| η | 0.0011453 | Pa×s | 398.11 | Joback Calculated Property |
| η | 0.0008262 | Pa×s | 427.49 | Joback Calculated Property |
| η | 0.0006216 | Pa×s | 456.86 | Joback Calculated Property |
| η | 0.0004840 | Pa×s | 486.23 | Joback Calculated Property |
| η | 0.0003878 | Pa×s | 515.61 | Joback Calculated Property |
| η | 0.0003182 | Pa×s | 544.98 | Joback Calculated Property |
| η | 0.0002664 | Pa×s | 574.36 | Joback Calculated Property |
| ΔfusH | [22.00; 23.85] | kJ/mol | [427.40; 427.90] |
|
| ΔfusH | 23.85 | kJ/mol | 427.40 | NIST |
| ΔfusH | 23.85 | kJ/mol | 427.40 | NIST |
| ΔfusH | 23.85 | kJ/mol | 427.40 | NIST |
| ΔfusH | 23.85 | kJ/mol | 427.40 | NIST |
| ΔfusH | 22.00 | kJ/mol | 427.80 | NIST |
| ΔfusH | 22.00 | kJ/mol | 427.83 | NIST |
| ΔfusH | 23.67 | kJ/mol | 427.90 | NIST |
| ΔsubH | [81.00; 101.20] | kJ/mol | [328.00; 413.00] |
|
| ΔsubH | 81.00 ± 2.00 | kJ/mol | 328.00 | NIST |
| ΔsubH | 101.20 ± 0.40 | kJ/mol | 330.00 | NIST |
| ΔsubH | 99.60 | kJ/mol | 413.00 | NIST |
| ΔfusS | [55.80; 55.80] | J/mol×K | [427.40; 427.40] |
|
| ΔfusS | 55.80 | J/mol×K | 427.40 | NIST |
| ΔfusS | 55.80 | J/mol×K | 427.40 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Thermodynamic study of the sublimation of six halobenzoic acids
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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