- 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
- Isobutyl chloride
- iso-C4H9Cl
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -2692.80 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -31.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.91 | kJ/mol | Joback 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. Sol... | |
| log10WS | -2.00 | Estimat... | |
| 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 | |
| Tboil | [342.05; 342.05] | K |
|
| Tboil | 342.05 | K | Study o... |
| Tboil | 342.05 | K | Vapor-L... |
| Tc | 504.53 | K | Joback Calculated Property |
| Tfus | 149.76 | K | Joback Calculated Property |
| Vc | 0.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.70; 160.95] | J/mol×K | [327.91; 504.53] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 120 130 140 150 160 350 400 450 500 | ||||
| Cp,gas | 118.70 | J/mol×K | 327.91 | Joback Calculated Property |
| Cp,gas | 126.45 | J/mol×K | 357.35 | Joback Calculated Property |
| Cp,gas | 133.91 | J/mol×K | 386.78 | Joback Calculated Property |
| Cp,gas | 141.08 | J/mol×K | 416.22 | Joback Calculated Property |
| Cp,gas | 147.98 | J/mol×K | 445.66 | Joback Calculated Property |
| Cp,gas | 154.60 | J/mol×K | 475.09 | Joback Calculated Property |
| Cp,gas | 160.95 | J/mol×K | 504.53 | Joback Calculated Property |
| Cp,liquid | 158.60 | J/mol×K | 298.00 | NIST |
| η | [0.0003664; 0.0005155] | Pa×s | [283.15; 313.15] |
|
|
T(K) Dynamic viscosity (Pa×s) 4.00e-4 4.50e-4 5.00e-4 290 300 310 | ||||
| η | 0.0005155 | Pa×s | 283.15 | Experim... |
| η | 0.0005155 | Pa×s | 283.15 | Viscosi... |
| η | 0.0004833 | Pa×s | 288.15 | Viscosi... |
| η | 0.0004833 | Pa×s | 288.15 | Experim... |
| η | 0.0004540 | Pa×s | 293.15 | Viscosi... |
| η | 0.0004540 | Pa×s | 293.15 | Experim... |
| η | 0.0004296 | Pa×s | 298.15 | Experim... |
| η | 0.0004296 | Pa×s | 298.15 | Viscosi... |
| η | 0.0004295 | Pa×s | 298.15 | Densiti... |
| η | 0.0004112 | Pa×s | 303.15 | Experim... |
| η | 0.0004112 | Pa×s | 303.15 | Viscosi... |
| η | 0.0003921 | Pa×s | 308.15 | Experim... |
| η | 0.0003921 | Pa×s | 308.15 | Viscosi... |
| η | 0.0003726 | Pa×s | 313.15 | Viscosi... |
| η | 0.0003726 | Pa×s | 313.15 | Experim... |
| η | 0.0003664 | Pa×s | 313.15 | Densiti... |
| ΔvapH | [29.22; 36.10] | kJ/mol | [280.50; 341.60] |
|
| ΔvapH | 36.10 | kJ/mol | 280.50 | NIST |
| ΔvapH | 29.22 | kJ/mol | 341.60 | NIST |
| ν | [0.0000004; 0.0000006] | m2/s | [283.15; 313.15] |
|
|
T(K) Kinematic viscosity (m2/s) 4.50e-7 5.00e-7 5.50e-7 290 300 310 | ||||
| ν | 0.0000006 | m2/s | 283.15 | Experim... |
| ν | 0.0000005 | m2/s | 298.15 | Thermop... |
| ν | 0.0000005 | m2/s | 298.15 | Viscosi... |
| ν | 0.0000005 | m2/s | 298.15 | Experim... |
| ν | 0.0000004 | m2/s | 313.15 | Thermop... |
| ν | 0.0000004 | m2/s | 313.15 | Viscosi... |
| ν | 0.0000004 | m2/s | 313.15 | Experim... |
| Pvap | [13.00; 30.45] | kPa | [288.15; 308.15] |
|
|
T(K) Vapor pressure (kPa) 15 20 25 30 290 295 300 305 | ||||
| Pvap | 13.00 | kPa | 288.15 | Isother... |
| Pvap | 13.00 | kPa | 288.15 | Experim... |
| Pvap | 13.00 | kPa | 288.15 | Experim... |
| Pvap | 13.00 | kPa | 288.15 | Article... |
| Pvap | 20.35 | kPa | 298.15 | Isother... |
| Pvap | 20.35 | kPa | 298.15 | Experim... |
| Pvap | 20.35 | kPa | 298.15 | Experim... |
| Pvap | 20.35 | kPa | 298.15 | Article... |
| Pvap | 30.45 | kPa | 308.15 | Isother... |
| Pvap | 30.45 | kPa | 308.15 | Experim... |
| Pvap | 30.45 | kPa | 308.15 | Experim... |
| Pvap | 30.45 | kPa | 308.15 | Article... |
| n0 | [1.38683; 1.40354] | [283.15; 313.15] |
|
|
|
T(K) Refractive Index 1.39 1.4 1.4 1.41 290 300 310 | ||||
| n0 | 1.40354 | 283.15 | Volumet... | |
| n0 | 1.40080 | 288.15 | Volumet... | |
| n0 | 1.39802 | 293.15 | Volumet... | |
| n0 | 1.39528 | 298.15 | Volumet... | |
| n0 | 1.39529 | 298.15 | Volumet... | |
| n0 | 1.39245 | 303.15 | Volumet... | |
| n0 | 1.38963 | 308.15 | Volumet... | |
| n0 | 1.38686 | 313.15 | Volumet... | |
| n0 | 1.38683 | 313.15 | Volumet... | |
| ρl | [870.89; 871.13] | kg/m3 | [298.15; 298.15] |
|
| ρl | 871.13 | kg/m3 | 298.15 | Surface... |
| ρl | 871.13 | kg/m3 | 298.15 | Surface... |
| ρl | 870.89 | kg/m3 | 298.15 | Thermod... |
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 Yaw...
|
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300 350 | ||||
| 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
- Tetrahydropyran + Propane, 1-chloro-2-methyl-
- Propane, 1-chloro-2-methyl- + Tetrahydrofuran
- Diisopropyl ether + Propane, 1-chloro-2-methyl-
- Butane, 1-ethoxy- + Propane, 1-chloro-2-methyl-
- Propane, 1-chloro-2-methyl- + Propane, 2-methoxy-2-methyl-
- Propane, 1-chloro-2-methyl- + Heptane
- Propane, 1-chloro-2-methyl- + 1,4-Dioxane
- 1,3-Dioxolane + Propane, 1-chloro-2-methyl-
- n-Hexane + Propane, 1-chloro-2-methyl-
- Propane, 1-chloro-2-methyl- + Furan, tetrahydro-2-methyl-
- Propane, 1-chloro-2-methyl- + Pentane, 3-methyl-
- Propane, 1-chloro-2-methyl- + Butane, 2,2-dimethyl-
Sources
- 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
- 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
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.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.