- InChI
- InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
- InChI Key
- QTBFPMKWQKYFLR-UHFFFAOYSA-N
- Formula
- C4H9Cl
- SMILES
- CC(C)CCl
- Molecular Weight1
- 92.57
- CAS
- 513-36-0
- Other Names
-
- 1-chloro-2-methylpropane
- iso-C4H9Cl
- isobutyl chloride
- ω : Acentric Factor.
- 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).
- 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).
- ν : Kinematic viscosity (m2/s).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.2473 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2692.80 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -31.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [31.67; 31.81] | kJ/mol |
|
| ΔvapH° | 31.81 | kJ/mol | NIST |
| ΔvapH° | 31.70 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 31.67 ± 0.06 | kJ/mol | NIST |
| IE | [10.50; 10.80] | eV |
|
| IE | 10.73 ± 0.07 | eV | NIST |
| IE | 10.62 | eV | NIST |
| IE | 10.80 | eV | NIST |
| IE | 10.50 ± 0.10 | eV | NIST |
| IE | 10.66 ± 0.03 | eV | NIST |
| log10WS | [-2.00; -2.00] |
|
|
| log10WS | -2.00 | Aq. Solubility Prediction | |
| log10WS | -2.00 | Estimated Solubility | |
| logPoct/wat | 1.881 | Crippen Calculated Property | |
| McVol | 79.460 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Inp | [588.00; 623.00] |
|
|
| Inp | 595.00 | NIST | |
| Inp | 596.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 597.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | Outlier 623.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | Outlier 623.00 | NIST | |
| Inp | 602.00 | NIST | |
| Tboil | [341.55; 342.35] | K |
|
| Tboil | 342.05 | K | Study of tetrahydropyran-chlorobutane VLE using the a o and o o approaches |
| Tboil | 342.05 | K | Vapor-Liquid Equilibrium and Volumetric Measurements for Binary Mixtures of 1,4-Dioxane with Isomeric Chlorobutanes |
| Tboil | 342.20 | K | NIST |
| Tboil | 341.60 | K | NIST |
| Tboil | 342.35 ± 0.60 | K | NIST |
| Tboil | 341.65 ± 0.30 | K | NIST |
| Tboil | 341.55 ± 0.30 | K | NIST |
| Tboil | 342.00 ± 0.30 | K | NIST |
| Tboil | 342.00 ± 0.50 | K | NIST |
| Tboil | 342.00 ± 0.50 | K | NIST |
| Tboil | 342.00 ± 0.20 | K | NIST |
| Tc | 528.81 | K | Relay (1.0) Calculated Property |
| Tfus | 156.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Mass density, kg/m3 - Liquid |
| 100.00 | 283.15 | 888.74 |
| 100.00 | 288.15 | 883.47 |
| 100.00 | 293.15 | 877.41 |
| 100.00 | 298.15 | 871.72 |
| 100.00 | 303.15 | 865.91 |
| 100.00 | 308.15 | 860.63 |
| 100.00 | 313.15 | 854.27 |
| 100.00 | 318.15 | 848.89 |
| 100.00 | 323.15 | 842.52 |
| 100.00 | 328.15 | 837.0 |
| 2000.00 | 283.15 | 890.75 |
| 2000.00 | 288.15 | 885.59 |
| 2000.00 | 293.15 | 879.49 |
| 2000.00 | 298.15 | 873.82 |
| 2000.00 | 303.15 | 868.26 |
| 2000.00 | 308.15 | 863.03 |
| 2000.00 | 313.15 | 856.75 |
| 2000.00 | 318.15 | 851.46 |
| 2000.00 | 323.15 | 845.19 |
| 2000.00 | 328.15 | 839.85 |
| 5000.00 | 283.15 | 893.77 |
| 5000.00 | 288.15 | 888.71 |
| 5000.00 | 293.15 | 882.8 |
| 5000.00 | 298.15 | 877.2 |
| 5000.00 | 303.15 | 871.68 |
| 5000.00 | 308.15 | 866.72 |
| 5000.00 | 313.15 | 860.48 |
| 5000.00 | 318.15 | 855.36 |
| 5000.00 | 323.15 | 849.19 |
| 5000.00 | 328.15 | 844.08 |
| 7000.00 | 283.15 | 895.72 |
| 7000.00 | 288.15 | 890.75 |
| 7000.00 | 293.15 | 884.93 |
| 7000.00 | 298.15 | 879.37 |
| 7000.00 | 303.15 | 873.97 |
| 7000.00 | 308.15 | 869.17 |
| 7000.00 | 313.15 | 862.93 |
| 7000.00 | 318.15 | 857.9 |
| 7000.00 | 323.15 | 851.95 |
| 7000.00 | 328.15 | 846.74 |
| 10000.00 | 283.15 | 898.62 |
| 10000.00 | 288.15 | 893.72 |
| 10000.00 | 293.15 | 888.0 |
| 10000.00 | 298.15 | 882.59 |
| 10000.00 | 303.15 | 877.32 |
| 10000.00 | 308.15 | 872.31 |
| 10000.00 | 313.15 | 866.38 |
| 10000.00 | 318.15 | 861.51 |
| 10000.00 | 323.15 | 855.62 |
| 10000.00 | 328.15 | 850.7 |
| 20000.00 | 283.15 | 907.63 |
| 20000.00 | 288.15 | 903.03 |
| 20000.00 | 293.15 | 897.62 |
| 20000.00 | 298.15 | 892.47 |
| 20000.00 | 303.15 | 887.46 |
| 20000.00 | 308.15 | 882.89 |
| 20000.00 | 313.15 | 877.3 |
| 20000.00 | 318.15 | 872.7 |
| 20000.00 | 323.15 | 867.15 |
| 20000.00 | 328.15 | 862.58 |
| 30000.00 | 283.15 | 915.91 |
| 30000.00 | 288.15 | 911.59 |
| 30000.00 | 293.15 | 906.26 |
| 30000.00 | 298.15 | 901.48 |
| 30000.00 | 303.15 | 896.65 |
| 30000.00 | 308.15 | 892.36 |
| 30000.00 | 313.15 | 887.04 |
| 30000.00 | 318.15 | 882.71 |
| 30000.00 | 323.15 | 877.47 |
| 30000.00 | 328.15 | 873.25 |
| 40000.00 | 283.15 | 923.6 |
| 40000.00 | 288.15 | 919.26 |
| 40000.00 | 293.15 | 914.31 |
| 40000.00 | 298.15 | 909.72 |
| 40000.00 | 303.15 | 905.09 |
| 40000.00 | 308.15 | 901.1 |
| 40000.00 | 313.15 | 895.94 |
| 40000.00 | 318.15 | 891.92 |
| 40000.00 | 323.15 | 886.79 |
| 40000.00 | 328.15 | 882.68 |
| 50000.00 | 283.15 | 930.74 |
| 50000.00 | 288.15 | 926.55 |
| 50000.00 | 293.15 | 921.75 |
| 50000.00 | 298.15 | 917.36 |
| 50000.00 | 303.15 | 912.92 |
| 50000.00 | 308.15 | 909.05 |
| 50000.00 | 313.15 | 904.09 |
| 50000.00 | 318.15 | 900.17 |
| 50000.00 | 323.15 | 895.27 |
| 50000.00 | 328.15 | 889.88 |
| 60000.00 | 283.15 | 937.43 |
| 60000.00 | 288.15 | 933.39 |
| 60000.00 | 293.15 | 928.75 |
| 60000.00 | 298.15 | 924.47 |
| 60000.00 | 303.15 | 920.14 |
| 60000.00 | 308.15 | 916.5 |
| 60000.00 | 313.15 | 911.72 |
| 60000.00 | 318.15 | 907.95 |
| 60000.00 | 323.15 | 903.21 |
| 60000.00 | 328.15 | 899.53 |
| 65000.00 | 283.15 | 940.6 |
| 65000.00 | 288.15 | 936.76 |
| 65000.00 | 293.15 | 932.1 |
| 65000.00 | 298.15 | 927.91 |
| 65000.00 | 303.15 | 923.66 |
| 65000.00 | 308.15 | 920.02 |
| 65000.00 | 313.15 | 915.32 |
| 65000.00 | 318.15 | 911.65 |
| 65000.00 | 323.15 | 906.99 |
| 65000.00 | 328.15 | 903.34 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [248.92; 365.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41015e+01 | |||
| Coefficient B | -2.81263e+03 | |||
| Coefficient C | -4.53090e+01 | |||
| Temperature range, min. | 248.92 | |||
| Temperature range, max. | 365.29 | |||
| Pvap | 1.33 | kPa | 248.92 | Calculated Property |
| Pvap | 3.04 | kPa | 261.85 | Calculated Property |
| Pvap | 6.32 | kPa | 274.78 | Calculated Property |
| Pvap | 12.16 | kPa | 287.71 | Calculated Property |
| Pvap | 21.89 | kPa | 300.64 | Calculated Property |
| Pvap | 37.22 | kPa | 313.57 | Calculated Property |
| Pvap | 60.28 | kPa | 326.50 | Calculated Property |
| Pvap | 93.57 | kPa | 339.43 | Calculated Property |
| Pvap | 139.96 | kPa | 352.36 | Calculated Property |
| Pvap | 202.66 | kPa | 365.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-chloro-2-methyl-.
Mixtures
- 1,3-Dioxolane + Propane, 1-chloro-2-methyl-
- Propane, 1-chloro-2-methyl- + 1,4-Dioxane
- Tetrahydropyran + Propane, 1-chloro-2-methyl-
- n-Hexane + Propane, 1-chloro-2-methyl-
- Propane, 1-chloro-2-methyl- + Heptane
- Butane, 1-ethoxy- + Propane, 1-chloro-2-methyl-
- Propane, 1-chloro-2-methyl- + Furan, tetrahydro-2-methyl-
- Diisopropyl ether + Propane, 1-chloro-2-methyl-
- Propane, 1-chloro-2-methyl- + Tetrahydrofuran
- Propane, 1-chloro-2-methyl- + Propane, 2-methoxy-2-methyl-
- Propane, 1-chloro-2-methyl- + Pentane, 3-methyl-
- Propane, 1-chloro-2-methyl- + Butane, 2,2-dimethyl-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Thermophysical Properties of Mixtures of Tetrahydropyran with Chlorobutanes
- Surface Tension of Mixtures of Tetrahydrofuran or Tetrahydropyran with Isomeric Chlorobutanes
- Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
- Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
- Study of tetrahydropyran-chlorobutane VLE using the a o and o o approaches
- Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
- Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
- Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
- Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes
- Volumetric and acoustic behaviour of systems containing n-hexane, or n-heptane and isomeric chlorobutanes
- Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
- Refractive indices and static permittivities of systems containing n-hexane or n-heptane and isomeric chlorobutanes
- Thermodynamic study of 2-methyl-tetrahydrofuran with isomeric chlorobutanes
- Excess properties from p.rho.T data for n-heptane + isomeric chlorobutane mixtures
- Vapor-Liquid Equilibrium and Volumetric Measurements for Binary Mixtures of 1,4-Dioxane with Isomeric Chlorobutanes
- Viscosities of Binary Mixtures of Isomeric Butanols or Isomeric Chlorobutanes with 2-Methyltetrahydrofuran
- Densities and Viscosities of the Binary Mixtures of Tetrahydrofuran with Isomeric Chlorobutanes at 298.15 K and 313.15 K
- Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
- Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
- Volumetric Properties of Short-Chain Chloroalkanes
- Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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