- InChI
- InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
- InChI Key
- AKCRQHGQIJBRMN-UHFFFAOYSA-N
- Formula
- C6H6ClN
- SMILES
- Nc1ccccc1Cl
- Molecular Weight1
- 127.57
- CAS
- 95-51-2
- Other Names
-
- 1-Amino-2-chlorobenzene
- 2-CHLORO-BENZENAMINE
- 2-Chloroaniline
- 2-Chlorobenzenamine
- 2-Chlorophenylamine
- 2-chlorobenzamine
- 2-chlorobenzeneamine
- Aniline, o-chloro-
- Azoic diazo component 44, base
- Benzenamine, 2-chloro-
- Benzeneamine, 2-chloro-
- Fast Yellow GC Base
- NSC 6183
- O-AMINOCHLOROBENZENE
- o-Chloraniline
- o-Chloroaminobenzene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3237.50 ± 1.40 | kJ/mol | NIST |
| ΔfG° | 156.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.94 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -4.64 | kJ/mol | NIST |
| ΔfusH° | 12.38 | kJ/mol | Heat Ca... |
| ΔvapH° | [56.40; 57.10] | kJ/mol |
|
| ΔvapH° | 56.40 ± 1.60 | kJ/mol | NIST |
| ΔvapH° | 57.10 ± 0.50 | kJ/mol | NIST |
| IE | [7.90; 8.50] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | 7.90 | eV | NIST |
| log10WS | [-1.52; -1.52] |
|
|
| log10WS | -1.52 | Aq. Sol... | |
| log10WS | -1.52 | Estimat... | |
| logPoct/wat | 1.922 | Crippen Calculated Property | |
| McVol | 93.860 | ml/mol | McGowan Calculated Property |
| Pc | 4704.19 | kPa | Joback Calculated Property |
| Inp | [1092.00; 1144.00] |
|
|
| Inp | Outlier 1144.00 | NIST | |
| Inp | 1095.40 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1092.00 | NIST | |
| I | [1879.00; 1901.00] |
|
|
| I | 1879.00 | NIST | |
| I | 1901.00 | NIST | |
| I | 1879.00 | NIST | |
| I | 1879.00 | NIST | |
| Tboil | [480.15; 482.15] | K |
|
| Tboil | 480.15 | K | KDB |
| Tboil | 482.00 | K | NIST |
| Tboil | 482.15 ± 1.00 | K | NIST |
| Tboil | 481.99 ± 0.07 | K | NIST |
| Tboil | 480.20 ± 2.00 | K | NIST |
| Tc | 716.47 | K | Joback Calculated Property |
| Tfus | [264.90; 271.21] | K |
|
| Tfus | 264.90 | K | Aq. Sol... |
| Tfus | 269.65 ± 0.50 | K | NIST |
| Tfus | 271.21 ± 0.05 | K | NIST |
| Tfus | 271.05 ± 0.10 | 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 |
| ΔfusH | [8.81; 12.38] | kJ/mol | [269.20; 271.00] |
|
| ΔfusH | 12.38 | kJ/mol | 269.20 | NIST |
| ΔfusH | 8.81 | kJ/mol | 271.00 | NIST |
| ΔvapH | [50.70; 58.20] | kJ/mol | [311.50; 439.50] |
|
| ΔvapH | 58.20 ± 1.40 | kJ/mol | 311.50 | NIST |
| ΔvapH | 57.10 ± 1.00 | kJ/mol | 312.00 | NIST |
| ΔvapH | 50.70 | kJ/mol | 439.50 | NIST |
| ρl | [1183.26; 1202.38] | kg/m3 | [303.15; 323.15] |
|
| ρl | 1202.38 | kg/m3 | 303.15 | Study o... |
| ρl | 1197.56 | kg/m3 | 308.15 | Study o... |
| ρl | 1192.97 | kg/m3 | 313.15 | Study o... |
| ρl | 1187.92 | kg/m3 | 318.15 | Study o... |
| ρl | 1183.26 | kg/m3 | 323.15 | Study o... |
| csound,fluid | [1402.00; 1470.00] | m/s | [303.15; 323.15] |
|
| csound,fluid | 1470.00 | m/s | 303.15 | Thermod... |
| csound,fluid | 1438.00 | m/s | 313.15 | Thermod... |
| csound,fluid | 1402.00 | m/s | 323.15 | Thermod... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [359.95; 511.63] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50330e+01 | |||
| Coefficient B | -4.32789e+03 | |||
| Coefficient C | -6.64440e+01 | |||
| Temperature range, min. | 359.95 | |||
| Temperature range, max. | 511.63 | |||
| Pvap | 1.33 | kPa | 359.95 | Calculated Property |
| Pvap | 2.97 | kPa | 376.80 | Calculated Property |
| Pvap | 6.09 | kPa | 393.66 | Calculated Property |
| Pvap | 11.64 | kPa | 410.51 | Calculated Property |
| Pvap | 20.94 | kPa | 427.36 | Calculated Property |
| Pvap | 35.75 | kPa | 444.22 | Calculated Property |
| Pvap | 58.32 | kPa | 461.07 | Calculated Property |
| Pvap | 91.39 | kPa | 477.92 | Calculated Property |
| Pvap | 138.24 | kPa | 494.78 | Calculated Property |
| Pvap | 202.65 | kPa | 511.63 | Calculated Property |
| Pvap | [2.38e-03; 4661.55] | kPa | [271.05; 722.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.36416e+02 | |||
| Coefficient B | -1.19812e+04 | |||
| Coefficient C | -1.76606e+01 | |||
| Coefficient D | 9.33757e-06 | |||
| Temperature range, min. | 271.05 | |||
| Temperature range, max. | 722.00 | |||
| Pvap | 2.38e-03 | kPa | 271.05 | Calculated Property |
| Pvap | 0.16 | kPa | 321.16 | Calculated Property |
| Pvap | 2.55 | kPa | 371.26 | Calculated Property |
| Pvap | 18.33 | kPa | 421.37 | Calculated Property |
| Pvap | 78.54 | kPa | 471.47 | Calculated Property |
| Pvap | 241.24 | kPa | 521.58 | Calculated Property |
| Pvap | 596.26 | kPa | 571.68 | Calculated Property |
| Pvap | 1279.39 | kPa | 621.79 | Calculated Property |
| Pvap | 2509.04 | kPa | 671.89 | Calculated Property |
| Pvap | 4661.55 | kPa | 722.00 | Calculated Property |
Similar Compounds
Find more compounds similar to o-Chloroaniline.
Mixtures
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
- 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
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