- InChI
- InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
- InChI Key
- PNPCRKVUWYDDST-UHFFFAOYSA-N
- Formula
- C6H6ClN
- SMILES
- Nc1cccc(Cl)c1
- Molecular Weight1
- 127.57
- CAS
- 108-42-9
- Other Names
-
- 1-Amino-3-chlorobenzene
- 3-CHLORO-BENZENAMINE
- 3-Chlooranilinen
- 3-Chloroaniline
- 3-Chlorobenzenamine
- 3-Chlorophenylamine
- 3-Cloroaniline
- 3-amino-1-chlorobenzene
- 3-chloro-1-aminobenzene
- Aniline, 3-chloro-
- Aniline, m-chloro-
- Azoic diazo component 2, base
- Benzenamine, 3-chloro-
- Benzeneamine, 3-chloro-
- Fast Orange GC Base
- M-AMINOCHLOROBENZENE
- NSC 17581
- Orange GC base
- m-Chloraniline
- m-Chloroaminobenzene
- m-Chlorophenylamine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- csound,fluid : Speed of sound in fluid (m/s).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| PAff | 868.10 | kJ/mol | NIST |
| BasG | 836.30 | kJ/mol | NIST |
| ΔcH°liquid | [-3362.60; -3221.80] | kJ/mol |
|
| ΔcH°liquid | -3221.80 ± 1.70 | kJ/mol | NIST |
| ΔcH°liquid | -3362.60 ± 2.70 | kJ/mol | NIST |
| ΔfG° | 156.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.94 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -20.30 | kJ/mol | NIST |
| ΔfusH° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [54.00; 61.10] | kJ/mol |
|
| ΔvapH° | 61.10 ± 2.80 | kJ/mol | NIST |
| ΔvapH° | 60.20 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 54.00 ± 0.20 | kJ/mol | NIST |
| IE | 8.10 ± 0.10 | eV | NIST |
| log10WS | [-1.37; -1.37] |
|
|
| log10WS | -1.37 | Aq. Sol... | |
| log10WS | -1.37 | Estimat... | |
| logPoct/wat | 1.922 | Crippen Calculated Property | |
| McVol | 93.860 | ml/mol | McGowan Calculated Property |
| Pc | 4704.19 | kPa | Joback Calculated Property |
| Inp | [1155.00; 1204.00] |
|
|
| Inp | 1204.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1160.60 | NIST | |
| Inp | 1201.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1160.60 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1201.00 | NIST | |
| I | [2110.00; 2140.00] |
|
|
| I | 2110.00 | NIST | |
| I | 2140.00 | NIST | |
| I | 2110.00 | NIST | |
| I | 2110.00 | NIST | |
| Tboil | [503.15; 509.65] | K |
|
| Tboil | 503.20 | K | NIST |
| Tboil | 503.15 ± 1.50 | K | NIST |
| Tboil | 503.70 ± 2.00 | K | NIST |
| Tboil | 509.65 ± 1.00 | K | NIST |
| Tc | 716.47 | K | Joback Calculated Property |
| Tfus | [262.80; 263.15] | K |
|
| Tfus | 263.02 | K | Aq. Sol... |
| Tfus | 263.15 ± 0.50 | K | NIST |
| Tfus | 262.90 ± 0.02 | K | NIST |
| Tfus | 262.80 ± 0.50 | K | NIST |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.54; 218.41] | J/mol×K | [478.30; 716.47] |
|
| Cp,gas | 171.54 | J/mol×K | 478.30 | Joback Calculated Property |
| Cp,gas | 180.87 | J/mol×K | 517.99 | Joback Calculated Property |
| Cp,gas | 189.55 | J/mol×K | 557.69 | Joback Calculated Property |
| Cp,gas | 197.61 | J/mol×K | 597.38 | Joback Calculated Property |
| Cp,gas | 205.09 | J/mol×K | 637.08 | Joback Calculated Property |
| Cp,gas | 212.01 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 218.41 | J/mol×K | 716.47 | Joback Calculated Property |
| Cp,liquid | [198.70; 213.40] | J/mol×K | [278.51; 349.98] |
|
| Cp,liquid | 200.30 | J/mol×K | 278.51 | Heat Ca... |
| Cp,liquid | 199.90 | J/mol×K | 278.51 | Heat Ca... |
| Cp,liquid | 201.80 | J/mol×K | 288.72 | Heat Ca... |
| Cp,liquid | 201.50 | J/mol×K | 288.72 | Heat Ca... |
| Cp,liquid | 198.70 | J/mol×K | 294.70 | NIST |
| Cp,liquid | 203.90 | J/mol×K | 298.93 | Heat Ca... |
| Cp,liquid | 203.50 | J/mol×K | 298.93 | Heat Ca... |
| Cp,liquid | 204.00 | J/mol×K | 298.93 | Heat Ca... |
| Cp,liquid | 205.50 | J/mol×K | 309.14 | Heat Ca... |
| Cp,liquid | 205.30 | J/mol×K | 309.14 | Heat Ca... |
| Cp,liquid | 205.20 | J/mol×K | 309.14 | Heat Ca... |
| Cp,liquid | 207.60 | J/mol×K | 319.35 | Heat Ca... |
| Cp,liquid | 207.40 | J/mol×K | 319.35 | Heat Ca... |
| Cp,liquid | 207.40 | J/mol×K | 319.35 | Heat Ca... |
| Cp,liquid | 209.60 | J/mol×K | 329.56 | Heat Ca... |
| Cp,liquid | 209.40 | J/mol×K | 329.56 | Heat Ca... |
| Cp,liquid | 209.40 | J/mol×K | 329.56 | Heat Ca... |
| Cp,liquid | 210.80 | J/mol×K | 339.77 | Heat Ca... |
| Cp,liquid | 210.90 | J/mol×K | 339.77 | Heat Ca... |
| Cp,liquid | 211.10 | J/mol×K | 339.77 | Heat Ca... |
| Cp,liquid | 213.40 | J/mol×K | 349.98 | Heat Ca... |
| Cp,liquid | 213.00 | J/mol×K | 349.98 | Heat Ca... |
| Cp,liquid | 212.90 | J/mol×K | 349.98 | Heat Ca... |
| ΔfusH | 12.00 | kJ/mol | 263.00 | NIST |
| ΔvapH | [53.60; 61.00] | kJ/mol | [319.00; 485.50] |
|
| ΔvapH | 60.30 ± 0.60 | kJ/mol | 319.00 | NIST |
| ΔvapH | 61.00 ± 0.80 | kJ/mol | 323.00 | NIST |
| ΔvapH | 53.60 | kJ/mol | 485.50 | NIST |
| ρl | [1187.41; 1205.75] | kg/m3 | [303.15; 323.15] |
|
| ρl | 1205.75 | kg/m3 | 303.15 | Study o... |
| ρl | 1205.32 | kg/m3 | 303.15 | Volumet... |
| ρl | 1201.14 | kg/m3 | 308.15 | Study o... |
| ρl | 1200.75 | kg/m3 | 308.15 | Volumet... |
| ρl | 1196.56 | kg/m3 | 313.15 | Study o... |
| ρl | 1196.02 | kg/m3 | 313.15 | Volumet... |
| ρl | 1191.98 | kg/m3 | 318.15 | Study o... |
| ρl | 1191.25 | kg/m3 | 318.15 | Volumet... |
| ρl | 1187.41 | kg/m3 | 323.15 | Study o... |
| csound,fluid | [1452.00; 1517.00] | m/s | [303.15; 323.15] |
|
| csound,fluid | 1517.00 | m/s | 303.15 | Thermod... |
| csound,fluid | 1484.00 | m/s | 313.15 | Thermod... |
| csound,fluid | 1486.00 | m/s | 313.15 | Thermod... |
| csound,fluid | 1452.00 | m/s | 323.15 | Thermod... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.70 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [374.87; 534.49] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49069e+01 | |||
| Coefficient B | -4.45692e+03 | |||
| Coefficient C | -7.00090e+01 | |||
| Temperature range, min. | 374.87 | |||
| Temperature range, max. | 534.49 | |||
| Pvap | 1.33 | kPa | 374.87 | Calculated Property |
| Pvap | 2.98 | kPa | 392.61 | Calculated Property |
| Pvap | 6.12 | kPa | 410.34 | Calculated Property |
| Pvap | 11.70 | kPa | 428.08 | Calculated Property |
| Pvap | 21.06 | kPa | 445.81 | Calculated Property |
| Pvap | 35.93 | kPa | 463.55 | Calculated Property |
| Pvap | 58.56 | kPa | 481.28 | Calculated Property |
| Pvap | 91.66 | kPa | 499.02 | Calculated Property |
| Pvap | 138.45 | kPa | 516.75 | Calculated Property |
| Pvap | 202.64 | kPa | 534.49 | Calculated Property |
| Pvap | [2.53e-04; 4571.61] | kPa | [262.75; 751.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.38199e+01 | |||
| Coefficient B | -1.01999e+04 | |||
| Coefficient C | -9.60275e+00 | |||
| Coefficient D | 3.14403e-06 | |||
| Temperature range, min. | 262.75 | |||
| Temperature range, max. | 751.00 | |||
| Pvap | 2.53e-04 | kPa | 262.75 | Calculated Property |
| Pvap | 0.04 | kPa | 317.00 | Calculated Property |
| Pvap | 0.96 | kPa | 371.25 | Calculated Property |
| Pvap | 9.87 | kPa | 425.50 | Calculated Property |
| Pvap | 54.72 | kPa | 479.75 | Calculated Property |
| Pvap | 201.62 | kPa | 534.00 | Calculated Property |
| Pvap | 561.27 | kPa | 588.25 | Calculated Property |
| Pvap | 1283.17 | kPa | 642.50 | Calculated Property |
| Pvap | 2548.33 | kPa | 696.75 | Calculated Property |
| Pvap | 4571.61 | kPa | 751.00 | Calculated Property |
Similar Compounds
Find more compounds similar to m-Chloroaniline.
Mixtures
- Benzyl alcohol + m-Chloroaniline
- Phenylethyl Alcohol + m-Chloroaniline
- 2-Chloroethanol + m-Chloroaniline
- Monoethanolamine + m-Chloroaniline
- Benzene, bromo- + m-Chloroaniline
- Benzene, chloro- + m-Chloroaniline
- Benzene, nitro- + m-Chloroaniline
- Diisopropyl ether + m-Chloroaniline
- m-Chloroaniline + Tetrahydrofuran
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
- Volumetric, acoustic and spectroscopic properties of 3-chloroaniline with substituted ethanols at various temperatures
- Studies on the importance of nature of substituent on the thermodynamic and transport properties of liquid mixtures at various temperatures
- Thermodynamic and acoustic properties of binary mixtures of ethers. V. Diisopropyl ether or oxolane with 2- or 3-chloroanilines at 303.15, 313.15 and 323.15 K
- Heat Capacities of Chloroanilines and Chloronitrobenzenes
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.