- InChI
- InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
- InChI Key
- NPDACUSDTOMAMK-UHFFFAOYSA-N
- Formula
- C7H7Cl
- SMILES
- Cc1ccc(Cl)cc1
- Molecular Weight1
- 126.58
- CAS
- 106-43-4
- Other Names
-
- 1-Chloro-4-methylbenzene
- 1-METHYL-4-CHLOROBENZENE
- 4-Chloro-1-methylbenzene
- 4-Chlorotoluene
- 4-Methylphenyl chloride
- 4-Tolyl chloride
- NSC 404114
- P-TOLYL CHLORIDE
- Toluene, p-chloro-
- p-Chlorotoluene
- para-Chlorotoluene
- toluene, 4-chloro-
- 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).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 762.90 | kJ/mol | NIST |
| BasG | 735.20 | kJ/mol | NIST |
| ΔcH°liquid | -3750.00 ± 10.00 | kJ/mol | NIST |
| ΔfG° | 98.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [38.70; 46.00] | kJ/mol |
|
| ΔvapH° | 46.00 | kJ/mol | NIST |
| ΔvapH° | 38.70 ± 0.02 | kJ/mol | NIST |
| IE | [8.69; 8.80] | eV |
|
| IE | 8.69 ± 0.03 | eV | NIST |
| IE | 8.80 ± 0.10 | eV | NIST |
| IE | 8.70 ± 0.02 | eV | NIST |
| IE | 8.69 ± 0.02 | eV | NIST |
| IE | 8.80 | eV | NIST |
| log10WS | [-3.08; -3.08] |
|
|
| log10WS | -3.08 | Aq. Sol... | |
| log10WS | -3.08 | Estimat... | |
| logPoct/wat | 2.648 | Crippen Calculated Property | |
| McVol | 97.970 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Inp | [151.00; 997.00] |
|
|
| Inp | 936.30 | NIST | |
| Inp | 941.30 | NIST | |
| Inp | 956.40 | NIST | |
| Inp | 961.70 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 944.40 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | 938.50 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | Outlier 151.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 944.40 | NIST | |
| I | [1288.00; 1304.00] |
|
|
| I | 1291.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1288.00 | NIST | |
| Tboil | [433.70; 435.65] | K |
|
| Tboil | 435.55 | K | KDB |
| Tboil | 435.20 | K | NIST |
| Tboil | 435.25 ± 0.40 | K | NIST |
| Tboil | 434.40 ± 0.60 | K | NIST |
| Tboil | 435.55 ± 0.30 | K | NIST |
| Tboil | 435.60 ± 0.60 | K | NIST |
| Tboil | 435.55 ± 0.30 | K | NIST |
| Tboil | 435.13 ± 0.20 | K | NIST |
| Tboil | 435.60 ± 0.50 | K | NIST |
| Tboil | 434.85 ± 0.30 | K | NIST |
| Tboil | 435.65 ± 0.30 | K | NIST |
| Tboil | 435.25 ± 0.50 | K | NIST |
| Tboil | 434.65 ± 1.50 | K | NIST |
| Tboil | Outlier 433.70 ± 3.00 | K | NIST |
| Tc | 615.90 ± 0.50 | K | NIST |
| Tfus | 280.65 | K | Aq. Sol... |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.77; 217.11] | J/mol×K | [428.65; 649.87] |
|
| Cp,gas | 163.77 | J/mol×K | 428.65 | Joback Calculated Property |
| Cp,gas | 174.12 | J/mol×K | 465.52 | Joback Calculated Property |
| Cp,gas | 183.86 | J/mol×K | 502.39 | Joback Calculated Property |
| Cp,gas | 193.00 | J/mol×K | 539.26 | Joback Calculated Property |
| Cp,gas | 201.57 | J/mol×K | 576.13 | Joback Calculated Property |
| Cp,gas | 209.60 | J/mol×K | 613.00 | Joback Calculated Property |
| Cp,gas | 217.11 | J/mol×K | 649.87 | Joback Calculated Property |
| η | [0.0002591; 0.0021341] | Pa×s | [237.51; 428.65] |
|
| η | 0.0021341 | Pa×s | 237.51 | Joback Calculated Property |
| η | 0.0012200 | Pa×s | 269.37 | Joback Calculated Property |
| η | 0.0007850 | Pa×s | 301.22 | Joback Calculated Property |
| η | 0.0005496 | Pa×s | 333.08 | Joback Calculated Property |
| η | 0.0004094 | Pa×s | 364.94 | Joback Calculated Property |
| η | 0.0003198 | Pa×s | 396.79 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 428.65 | Joback Calculated Property |
| ΔfusH | [13.55; 13.55] | kJ/mol | [280.70; 280.70] |
|
| ΔfusH | 13.55 | kJ/mol | 280.70 | NIST |
| ΔfusH | 13.55 | kJ/mol | 280.70 | NIST |
| ΔvapH | [41.70; 44.10] | kJ/mol | [357.00; 398.50] |
|
| ΔvapH | 44.10 | kJ/mol | 357.00 | NIST |
| ΔvapH | 41.70 | kJ/mol | 370.00 | NIST |
| ΔvapH | 43.50 | kJ/mol | 385.50 | NIST |
| ΔvapH | 41.80 | kJ/mol | 398.50 | NIST |
| Pvap | [0.08; 93.32] | kPa | [274.30; 431.77] |
|
| Pvap | 0.08 | kPa | 274.30 | Vaporiz... |
| Pvap | 0.08 | kPa | 274.30 | Vaporiz... |
| Pvap | 0.09 | kPa | 276.10 | Vaporiz... |
| Pvap | 0.11 | kPa | 278.20 | Vaporiz... |
| Pvap | 0.12 | kPa | 280.20 | Vaporiz... |
| Pvap | 0.14 | kPa | 282.10 | Vaporiz... |
| Pvap | 0.17 | kPa | 285.20 | Vaporiz... |
| Pvap | 0.21 | kPa | 288.20 | Vaporiz... |
| Pvap | 0.22 | kPa | 288.20 | Vaporiz... |
| Pvap | 0.22 | kPa | 288.20 | Vaporiz... |
| Pvap | 0.27 | kPa | 291.30 | Vaporiz... |
| Pvap | 0.33 | kPa | 294.20 | Vaporiz... |
| Pvap | 0.40 | kPa | 297.20 | Vaporiz... |
| Pvap | 0.47 | kPa | 300.30 | Vaporiz... |
| Pvap | 0.57 | kPa | 303.20 | Vaporiz... |
| Pvap | 0.70 | kPa | 306.30 | Vaporiz... |
| Pvap | 0.83 | kPa | 309.20 | Vaporiz... |
| Pvap | 40.00 | kPa | 401.71 | Determi... |
| Pvap | 53.33 | kPa | 411.34 | Determi... |
| Pvap | 66.66 | kPa | 419.20 | Determi... |
| Pvap | 79.99 | kPa | 425.90 | Determi... |
| Pvap | 93.32 | kPa | 431.77 | Determi... |
| n0 | [1.51380; 1.51880] | [298.15; 308.15] |
|
|
| n0 | 1.51880 | 298.15 | Densiti... | |
| n0 | 1.51660 | 303.15 | Densiti... | |
| n0 | 1.51380 | 308.15 | Densiti... | |
| ρl | [1049.29; 1069.27] | kg/m3 | [293.15; 313.15] |
|
| ρl | 1069.00 | kg/m3 | 293.15 | Influen... |
| ρl | 1069.27 | kg/m3 | 293.15 | Excess ... |
| ρl | 1064.37 | kg/m3 | 298.15 | Excess ... |
| ρl | 1065.00 | kg/m3 | 298.15 | Influen... |
| ρl | 1065.14 | kg/m3 | 298.15 | Effect ... |
| ρl | 1064.93 | kg/m3 | 298.15 | Thermod... |
| ρl | 1059.46 | kg/m3 | 303.15 | Excess ... |
| ρl | 1060.00 | kg/m3 | 303.15 | Influen... |
| ρl | 1060.54 | kg/m3 | 303.15 | Excess ... |
| ρl | 1059.56 | kg/m3 | 303.15 | Thermod... |
| ρl | 1054.00 | kg/m3 | 308.15 | Influen... |
| ρl | 1054.27 | kg/m3 | 308.15 | Thermod... |
| ρl | 1049.29 | kg/m3 | 313.15 | Thermod... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 317.20 | K | 1.30 | NIST |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Viscosity, Pa*s - Liquid |
| 101.00 | 303.15 | 0.0009 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [318.52; 464.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41461e+01 | |||
| Coefficient B | -3.55136e+03 | |||
| Coefficient C | -6.22610e+01 | |||
| Temperature range, min. | 318.52 | |||
| Temperature range, max. | 464.24 | |||
| Pvap | 1.33 | kPa | 318.52 | Calculated Property |
| Pvap | 3.04 | kPa | 334.71 | Calculated Property |
| Pvap | 6.31 | kPa | 350.90 | Calculated Property |
| Pvap | 12.13 | kPa | 367.09 | Calculated Property |
| Pvap | 21.83 | kPa | 383.28 | Calculated Property |
| Pvap | 37.14 | kPa | 399.48 | Calculated Property |
| Pvap | 60.17 | kPa | 415.67 | Calculated Property |
| Pvap | 93.44 | kPa | 431.86 | Calculated Property |
| Pvap | 139.85 | kPa | 448.05 | Calculated Property |
| Pvap | 202.63 | kPa | 464.24 | Calculated Property |
| Pvap | [0.12; 3982.43] | kPa | [280.65; 660.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.00378e+02 | |||
| Coefficient B | -9.03187e+03 | |||
| Coefficient C | -1.25791e+01 | |||
| Coefficient D | 7.49089e-06 | |||
| Temperature range, min. | 280.65 | |||
| Temperature range, max. | 660.00 | |||
| Pvap | 0.12 | kPa | 280.65 | Calculated Property |
| Pvap | 1.66 | kPa | 322.80 | Calculated Property |
| Pvap | 11.17 | kPa | 364.95 | Calculated Property |
| Pvap | 46.75 | kPa | 407.10 | Calculated Property |
| Pvap | 142.23 | kPa | 449.25 | Calculated Property |
| Pvap | 347.53 | kPa | 491.40 | Calculated Property |
| Pvap | 728.70 | kPa | 533.55 | Calculated Property |
| Pvap | 1372.58 | kPa | 575.70 | Calculated Property |
| Pvap | 2398.86 | kPa | 617.85 | Calculated Property |
| Pvap | 3982.43 | kPa | 660.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-methyl-.
Mixtures
- 1-Decanol + Benzene, 1-chloro-4-methyl-
- Benzene, 1-chloro-2-methyl- + Benzene, 1-chloro-4-methyl-
- Benzyl alcohol + Benzene, 1-chloro-4-methyl-
- N,N-Dimethylacetamide + Benzene, 1-chloro-4-methyl-
- Dimethyl Sulfoxide + Benzene, 1-chloro-4-methyl-
- Benzene + Benzene, 1-chloro-4-methyl-
- Benzene + 2-Pyrrolidinone, 1-methyl- + Benzene, 1-chloro-4-methyl-
- Acetophenone + Benzene, 1-chloro-4-methyl-
- 2-Pyrrolidinone, 1-methyl- + Benzene, 1-chloro-4-methyl-
- 2-Pyrrolidinone + Benzene, 1-chloro-4-methyl-
- Tetrahydrofuran + Benzene, 1-chloro-4-methyl-
- Benzene, 1-chloro-4-methyl- + Water
- Heptane + Benzene, 1-chloro-4-methyl-
- n-Hexane + Benzene, 1-chloro-4-methyl-
- n-Hexane + Heptane + Benzene, 1-chloro-4-methyl-
- n-Hexane + Octane + Benzene, 1-chloro-4-methyl-
- n-Hexane + Decane + Benzene, 1-chloro-4-methyl-
- Octane + Heptane + Benzene, 1-chloro-4-methyl-
- Decane + Heptane + Benzene, 1-chloro-4-methyl-
- Decane + Octane + Benzene, 1-chloro-4-methyl-
Find more mixtures with Benzene, 1-chloro-4-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 1-Decanol with Isomeric Chlorotoluenes
- Determination and correlation of vapor liquid equilibrium for binary systems consisting of close-boiling components
- Densities and ultrasonic studies for binary mixtures of tetrahydrofuran with chlorobenzenes, chlorotoluenes and nitrotoluenes at 298.15 K
- Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
- Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
- Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
- Solubility and dissolution mechanism of 4-chlorotoluene in subcritical water investigated in a fused silica capillary reactor by in situ Raman spectroscopy
- Volumetric, ultrasonic and viscometric studies of binary mixtures of dimethyl sulphoxide with chloro and nitro substituted aromatic hydrocarbons at T = 303.15 K
- Excess heat capacities of mixtures containing 1-methylpyrrolidin-2-one, chlorotoluenes and benzene
- Influence of chlorine atom on interactions between halo-hydrocarbons and 1-nonanol: Density and speed of sound measurements
- Excess Volumes, Speeds of Sound, Isentropic Compressibilities, and Viscosities of Binary Mixtures of Acetophenone with Chlorotoluenes and Nitrotoluenes at 303.15 K
- Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Binary Mixtures at 298.15 K
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Excess Heat Capacities for Lactam + Chlorotoluene Binary Mixtures
- Measurement and Correlation of Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Alkane and Cycloalkane Solvents
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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