- InChI
- InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
- InChI Key
- OSOUNOBYRMOXQQ-UHFFFAOYSA-N
- Formula
- C7H7Cl
- SMILES
- Cc1cccc(Cl)c1
- Molecular Weight1
- 126.58
- CAS
- 108-41-8
- Other Names
-
- 1-Chloro-3-methylbenzene
- 1-Chloro-5-methylbenzene
- 1-METHYL-3-CHLOROBENZENE
- 3-Chloro-1-methylbenzene
- 3-Chlorotoluene
- M-TOLYL CHLORIDE
- NSC 8767
- Toluene, m-chloro-
- m-Chlorotoluene
- meta-Chlorotoluene
- toluene, 3-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).
- 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).
- 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 | 783.90 | kJ/mol | NIST |
| BasG | 754.50 | kJ/mol | NIST |
| ΔcH°liquid | -3751.00 ± 8.00 | 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° | 38.50 | kJ/mol | Joback Calculated Property |
| IE | [8.70; 8.83] | eV |
|
| IE | 8.70 ± 0.10 | eV | NIST |
| IE | 8.83 ± 0.02 | eV | NIST |
| log10WS | -3.52 | Aq. Sol... | |
| logPoct/wat | 2.648 | Crippen Calculated Property | |
| McVol | 97.970 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Inp | [150.00; 960.00] |
|
|
| Inp | 927.70 | NIST | |
| Inp | 934.90 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 150.00 | NIST | |
| Inp | 160.70 | NIST | |
| Inp | 160.70 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 150.00 | NIST | |
| I | [1288.00; 1313.00] |
|
|
| I | 1313.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1301.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1291.00 | NIST | |
| Tboil | [431.20; 435.20] | K |
|
| Tboil | 435.20 | K | NIST |
| Tboil | 431.20 ± 2.00 | K | NIST |
| Tboil | 434.89 ± 0.20 | K | NIST |
| Tc | 649.87 | K | Joback Calculated Property |
| Tfus | [224.26; 246.90] | K |
|
| Tfus | 225.20 | K | Aq. Sol... |
| Tfus | 225.35 ± 0.50 | K | NIST |
| Tfus | 224.26 ± 0.60 | K | NIST |
| Tfus | 246.90 | K | NIST |
| Tfus | 225.35 ± 2.00 | K | NIST |
| 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 |
| ΔvapH | [41.90; 46.20] | kJ/mol | [310.50; 404.00] |
|
| ΔvapH | 46.20 | kJ/mol | 310.50 | NIST |
| ΔvapH | 43.70 | kJ/mol | 356.50 | NIST |
| ΔvapH | 41.90 | kJ/mol | 404.00 | NIST |
| Pvap | [0.08; 0.82] | kPa | [274.20; 309.20] |
|
| Pvap | 0.08 | kPa | 274.20 | Vaporiz... |
| Pvap | 0.10 | kPa | 277.20 | Vaporiz... |
| Pvap | 0.12 | kPa | 280.20 | Vaporiz... |
| Pvap | 0.14 | kPa | 283.10 | Vaporiz... |
| Pvap | 0.18 | kPa | 286.20 | Vaporiz... |
| Pvap | 0.21 | kPa | 288.20 | Vaporiz... |
| Pvap | 0.26 | kPa | 291.20 | Vaporiz... |
| Pvap | 0.31 | kPa | 294.20 | Vaporiz... |
| Pvap | 0.31 | kPa | 294.20 | Vaporiz... |
| Pvap | 0.38 | kPa | 297.20 | Vaporiz... |
| Pvap | 0.48 | kPa | 300.20 | Vaporiz... |
| Pvap | 0.58 | kPa | 303.20 | Vaporiz... |
| Pvap | 0.69 | kPa | 306.30 | Vaporiz... |
| Pvap | 0.82 | kPa | 309.20 | Vaporiz... |
| n0 | [1.51690; 1.52070] | [298.15; 308.15] |
|
|
| n0 | 1.52070 | 298.15 | Densiti... | |
| n0 | 1.51890 | 303.15 | Densiti... | |
| n0 | 1.51690 | 308.15 | Densiti... | |
| ρl | [1053.49; 1072.15] | kg/m3 | [293.15; 313.15] |
|
| ρl | 1072.00 | kg/m3 | 293.15 | Influen... |
| ρl | 1072.12 | kg/m3 | 293.15 | Excess ... |
| ρl | 1072.15 | kg/m3 | 293.15 | Effect ... |
| ρl | 1067.23 | kg/m3 | 298.15 | Excess ... |
| ρl | 1067.00 | kg/m3 | 298.15 | Influen... |
| ρl | 1067.25 | kg/m3 | 298.15 | Thermod... |
| ρl | 1062.33 | kg/m3 | 303.15 | Excess ... |
| ρl | 1063.00 | kg/m3 | 303.15 | Influen... |
| ρl | 1065.22 | kg/m3 | 303.15 | Excess ... |
| ρl | 1062.79 | kg/m3 | 303.15 | Thermod... |
| ρl | 1058.00 | kg/m3 | 308.15 | Influen... |
| ρl | 1058.29 | kg/m3 | 308.15 | Thermod... |
| ρl | 1053.49 | kg/m3 | 313.15 | Thermod... |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Viscosity, Pa*s - Liquid |
| 101.00 | 303.15 | 0.0008 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [318.36; 464.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41128e+01 | |||
| Coefficient B | -3.54140e+03 | |||
| Coefficient C | -6.22050e+01 | |||
| Temperature range, min. | 318.36 | |||
| Temperature range, max. | 464.58 | |||
| Pvap | 1.33 | kPa | 318.36 | Calculated Property |
| Pvap | 3.04 | kPa | 334.61 | Calculated Property |
| Pvap | 6.32 | kPa | 350.85 | Calculated Property |
| Pvap | 12.15 | kPa | 367.10 | Calculated Property |
| Pvap | 21.87 | kPa | 383.35 | Calculated Property |
| Pvap | 37.20 | kPa | 399.59 | Calculated Property |
| Pvap | 60.25 | kPa | 415.84 | Calculated Property |
| Pvap | 93.54 | kPa | 432.09 | Calculated Property |
| Pvap | 139.95 | kPa | 448.33 | Calculated Property |
| Pvap | 202.67 | kPa | 464.58 | Calculated Property |
| Pvap | [0.15; 99.89] | kPa | [278.15; 435.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.97198e+01 | |||
| Coefficient B | -5.59588e+03 | |||
| Coefficient C | -2.06159e+00 | |||
| Coefficient D | 1.42367e-06 | |||
| Temperature range, min. | 278.15 | |||
| Temperature range, max. | 435.15 | |||
| Pvap | 0.15 | kPa | 278.15 | Calculated Property |
| Pvap | 0.44 | kPa | 295.59 | Calculated Property |
| Pvap | 1.15 | kPa | 313.04 | Calculated Property |
| Pvap | 2.68 | kPa | 330.48 | Calculated Property |
| Pvap | 5.72 | kPa | 347.93 | Calculated Property |
| Pvap | 11.35 | kPa | 365.37 | Calculated Property |
| Pvap | 21.10 | kPa | 382.82 | Calculated Property |
| Pvap | 37.11 | kPa | 400.26 | Calculated Property |
| Pvap | 62.19 | kPa | 417.71 | Calculated Property |
| Pvap | 99.89 | kPa | 435.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3-methyl-.
Mixtures
- Benzene, 1-chloro-3-methyl- + 1-Decanol
- Benzene, 1-chloro-3-methyl- + Benzyl alcohol
- Benzene, 1-chloro-3-methyl- + N,N-Dimethylacetamide
- Benzene, 1-chloro-3-methyl- + Dimethyl Sulfoxide
- Benzene + Benzene, 1-chloro-3-methyl-
- Benzene + Benzene, 1-chloro-3-methyl- + 2-Pyrrolidinone, 1-methyl-
- Benzene, 1-chloro-3-methyl- + Acetophenone
- Benzene, 1-chloro-3-methyl- + 2-Pyrrolidinone, 1-methyl-
- Benzene, 1-chloro-3-methyl- + 2-Pyrrolidinone
- Benzene, 1-chloro-3-methyl- + Tetrahydrofuran
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 1-Decanol with Isomeric Chlorotoluenes
- 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
- 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
- Excess Heat Capacities for Lactam + Chlorotoluene Binary Mixtures
- Joback Method
- KDB
- Aqueous Solubility Prediction 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.