- InChI
- InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
- InChI Key
- PBKONEOXTCPAFI-UHFFFAOYSA-N
- Formula
- C6H3Cl3
- SMILES
- Clc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 181.45
- CAS
- 120-82-1
- Other Names
-
- 1,2,4-Trichlorobenzene
- 1,2,4-Trichlorobenzol
- 1,2,5-TRICHLOROBENZENE
- 1,3,4-Trichlorobenzene
- AS-TRICHLOROBENZENE
- Hipochem GM
- Hostetex L-PEC
- NSC 406697
- Trojchlorobenzen
- unsym-Trichlorobenzene
- 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).
- 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°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | [-2810.50; -2797.98] | kJ/mol |
|
| ΔcH°liquid | -2810.50 ± 1.50 | kJ/mol | NIST |
| ΔcH°liquid | -2797.98 ± 0.44 | kJ/mol | NIST |
| ΔfG° | 57.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-8.05; 4.90] | kJ/mol |
|
| ΔfH°gas | 4.90 ± 1.60 | kJ/mol | NIST |
| ΔfH°gas | -8.05 | kJ/mol | NIST |
| ΔfH°liquid | -50.20 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 17.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [54.68; 57.60] | kJ/mol |
|
| ΔvapH° | 57.60 | kJ/mol | NIST |
| ΔvapH° | 55.50 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 55.10 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 54.68 | kJ/mol | NIST |
| IE | 9.04 ± 0.03 | eV | NIST |
| log10WS | [-3.60; -3.59] |
|
|
| log10WS | -3.60 | Aq. Sol... | |
| log10WS | -3.59 | Estimat... | |
| logPoct/wat | 3.647 | Crippen Calculated Property | |
| McVol | 108.360 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 3 | KDB | |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| Inp | [198.20; 1211.10] |
|
|
| Inp | 1193.56 | NIST | |
| Inp | 1193.67 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1189.60 | NIST | |
| Inp | 1199.70 | NIST | |
| Inp | 1211.10 | NIST | |
| Inp | 1189.56 | NIST | |
| Inp | 1164.56 | NIST | |
| Inp | 1176.18 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1192.67 | NIST | |
| Inp | 1193.06 | NIST | |
| Inp | 1196.72 | NIST | |
| Inp | 1196.78 | NIST | |
| Inp | 1141.60 | NIST | |
| Inp | 1158.50 | NIST | |
| Inp | 1160.14 | NIST | |
| Inp | 1166.23 | NIST | |
| Inp | 1171.69 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | Outlier 199.00 | NIST | |
| Inp | Outlier 198.20 | NIST | |
| Inp | 1142.00 | NIST | |
| I | [1630.00; 1698.00] |
|
|
| I | 1665.50 | NIST | |
| I | 1688.60 | NIST | |
| I | 1630.00 | NIST | |
| I | 1630.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1671.43 | NIST | |
| I | 1659.76 | NIST | |
| I | 1658.54 | NIST | |
| I | 1643.59 | NIST | |
| Tboil | 486.70 | K | NIST |
| Tc | 725.08 | K | Joback Calculated Property |
| Tfus | [282.20; 290.10] | K |
|
| Tfus | 290.10 ± 0.02 | K | NIST |
| Tfus | 282.20 ± 4.00 | K | NIST |
| Tfus | 289.70 ± 3.00 | K | NIST |
| Vc | 0.410 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.92; 204.95] | J/mol×K | [485.61; 725.08] |
|
| Cp,gas | 168.92 | J/mol×K | 485.61 | Joback Calculated Property |
| Cp,gas | 176.13 | J/mol×K | 525.52 | Joback Calculated Property |
| Cp,gas | 182.83 | J/mol×K | 565.43 | Joback Calculated Property |
| Cp,gas | 189.04 | J/mol×K | 605.34 | Joback Calculated Property |
| Cp,gas | 194.78 | J/mol×K | 645.26 | Joback Calculated Property |
| Cp,gas | 200.07 | J/mol×K | 685.17 | Joback Calculated Property |
| Cp,gas | 204.95 | J/mol×K | 725.08 | Joback Calculated Property |
| Cp,liquid | [188.00; 205.35] | J/mol×K | [293.15; 353.15] |
|
| Cp,liquid | 194.25 | J/mol×K | 293.15 | Heat Ca... |
| Cp,liquid | 194.57 | J/mol×K | 295.15 | Heat Ca... |
| Cp,liquid | 194.90 | J/mol×K | 297.15 | Heat Ca... |
| Cp,liquid | 188.00 | J/mol×K | 297.95 | NIST |
| Cp,liquid | 194.90 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 194.60 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 195.23 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 195.57 | J/mol×K | 301.15 | Heat Ca... |
| Cp,liquid | 195.92 | J/mol×K | 303.15 | Heat Ca... |
| Cp,liquid | 196.27 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 196.63 | J/mol×K | 307.15 | Heat Ca... |
| Cp,liquid | 196.99 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 197.35 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 197.72 | J/mol×K | 313.15 | Heat Ca... |
| Cp,liquid | 198.09 | J/mol×K | 315.15 | Heat Ca... |
| Cp,liquid | 198.47 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 198.85 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 199.23 | J/mol×K | 321.15 | Heat Ca... |
| Cp,liquid | 199.61 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 200.00 | J/mol×K | 325.15 | Heat Ca... |
| Cp,liquid | 200.38 | J/mol×K | 327.15 | Heat Ca... |
| Cp,liquid | 200.77 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 201.16 | J/mol×K | 331.15 | Heat Ca... |
| Cp,liquid | 201.55 | J/mol×K | 333.15 | Heat Ca... |
| Cp,liquid | 201.93 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 202.32 | J/mol×K | 337.15 | Heat Ca... |
| Cp,liquid | 202.71 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 203.09 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 203.47 | J/mol×K | 343.15 | Heat Ca... |
| Cp,liquid | 203.85 | J/mol×K | 345.15 | Heat Ca... |
| Cp,liquid | 204.23 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 204.61 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 204.98 | J/mol×K | 351.15 | Heat Ca... |
| Cp,liquid | 205.35 | J/mol×K | 353.15 | Heat Ca... |
| η | [0.0003053; 0.0016757] | Pa×s | [298.60; 485.61] |
|
| η | 0.0016757 | Pa×s | 298.60 | Joback Calculated Property |
| η | 0.0011033 | Pa×s | 329.77 | Joback Calculated Property |
| η | 0.0007808 | Pa×s | 360.94 | Joback Calculated Property |
| η | 0.0005838 | Pa×s | 392.11 | Joback Calculated Property |
| η | 0.0004556 | Pa×s | 423.27 | Joback Calculated Property |
| η | 0.0003679 | Pa×s | 454.44 | Joback Calculated Property |
| η | 0.0003053 | Pa×s | 485.61 | Joback Calculated Property |
| ΔsubH | 62.30 | kJ/mol | 288.50 | NIST |
| ΔvapH | [47.00; 55.80] | kJ/mol | [288.50; 440.50] |
|
| ΔvapH | 47.00 | kJ/mol | 288.50 | NIST |
| ΔvapH | 55.80 | kJ/mol | 290.00 | NIST |
| ΔvapH | 49.30 | kJ/mol | 398.50 | NIST |
| ΔvapH | 49.50 | kJ/mol | 440.50 | NIST |
| n0 | [1.52200; 1.54800] | [298.15; 308.15] |
|
|
| n0 | 1.54800 | 298.15 | Densiti... | |
| n0 | 1.52200 | 298.15 | Liquid-... | |
| n0 | 1.54600 | 303.15 | Densiti... | |
| n0 | 1.54300 | 308.15 | Densiti... | |
| ρl | 1442.12 | kg/m3 | 303.15 | Effect ... |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Viscosity, Pa*s - Liquid |
| 101.00 | 303.15 | 0.0016 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [353.84; 519.04] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49608e+01 | |||
| Coefficient B | -4.65563e+03 | |||
| Coefficient C | -3.65540e+01 | |||
| Temperature range, min. | 353.84 | |||
| Temperature range, max. | 519.04 | |||
| Pvap | 1.33 | kPa | 353.84 | Calculated Property |
| Pvap | 2.97 | kPa | 372.20 | Calculated Property |
| Pvap | 6.11 | kPa | 390.55 | Calculated Property |
| Pvap | 11.68 | kPa | 408.91 | Calculated Property |
| Pvap | 21.01 | kPa | 427.26 | Calculated Property |
| Pvap | 35.86 | kPa | 445.62 | Calculated Property |
| Pvap | 58.46 | kPa | 463.97 | Calculated Property |
| Pvap | 91.55 | kPa | 482.33 | Calculated Property |
| Pvap | 138.37 | kPa | 500.68 | Calculated Property |
| Pvap | 202.67 | kPa | 519.04 | Calculated Property |
| Pvap | [0.03; 3719.15] | kPa | [290.15; 725.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.43692e+01 | |||
| Coefficient B | -6.72270e+03 | |||
| Coefficient C | -2.58415e+00 | |||
| Coefficient D | 2.74692e-07 | |||
| Temperature range, min. | 290.15 | |||
| Temperature range, max. | 725.00 | |||
| Pvap | 0.03 | kPa | 290.15 | Calculated Property |
| Pvap | 0.60 | kPa | 338.47 | Calculated Property |
| Pvap | 5.12 | kPa | 386.78 | Calculated Property |
| Pvap | 26.31 | kPa | 435.10 | Calculated Property |
| Pvap | 95.05 | kPa | 483.42 | Calculated Property |
| Pvap | 266.50 | kPa | 531.73 | Calculated Property |
| Pvap | 619.26 | kPa | 580.05 | Calculated Property |
| Pvap | 1247.60 | kPa | 628.37 | Calculated Property |
| Pvap | 2250.21 | kPa | 676.68 | Calculated Property |
| Pvap | 3719.15 | kPa | 725.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,4-trichloro-.
Mixtures
- Benzene, 1,2,4-trichloro- + N,N-Dimethylacetamide
- Benzene, 1,2,4-trichloro- + Dimethyl Sulfoxide
- n-Hexane + Benzene, 1,2,4-trichloro- + Furfural
- Benzene, 1,2,4-trichloro- + Furfural + Hexadecane
- Benzene, 1,2,4-trichloro- + Tetrahydrofuran
- Benzene, 1,2,4-trichloro- + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
- Densities and ultrasonic studies for binary mixtures of tetrahydrofuran with chlorobenzenes, chlorotoluenes and nitrotoluenes at 298.15 K
- Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
- Volumetric, ultrasonic and viscometric studies of binary mixtures of dimethyl sulphoxide with chloro and nitro substituted aromatic hydrocarbons at T = 303.15 K
- Liquid-Liquid Equilibria for Mixtures of (Furfural + a Chlorinated Aromatic Compound + an Alkane) at T = 298.15 K
- Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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