- InChI
- InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3
- InChI Key
- NBRKLOOSMBRFMH-UHFFFAOYSA-N
- Formula
- C4H9Cl
- SMILES
- CC(C)(C)Cl
- Molecular Weight1
- 92.57
- CAS
- 507-20-0
- Other Names
-
- 1,1-dimethylethyl chloride
- 1-chloro-1,1-dimethylethane
- 2-CHLORO-2-METHYLPROPANE
- 2-CHLOROISOBUTANE
- 2-Methyl-2-chloropropane
- 2-Methyl-2-propyl chloride
- Chlorotrimethylmethane
- NSC 6527
- TRIMETHYLCHLOROMETHANE
- Tertiary-butyl chloride
- tert-Butyl Chloride
- tert-C4H9Cl
- 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).
- μ : Dipole Moment (debye).
- 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).
- 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).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1900 | KDB | |
| ΔcH°liquid | -2675.20 ± 8.40 | kJ/mol | NIST |
| μ | 2.10 | debye | KDB |
| ΔfG° | -64.14 | kJ/mol | KDB |
| ΔfH°gas | [-183.40; -179.90] | kJ/mol |
|
| ΔfH°gas | -183.40 | kJ/mol | KDB |
| ΔfH°gas | -179.90 | kJ/mol | NIST |
| ΔfH°liquid | -211.20 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 2.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [28.60; 29.19] | kJ/mol |
|
| ΔvapH° | 29.19 | kJ/mol | NIST |
| ΔvapH° | 28.60 | kJ/mol | NIST |
| ΔvapH° | 29.00 ± 0.10 | kJ/mol | NIST |
| IE | [10.30; 10.76] | eV |
|
| IE | 10.58 | eV | NIST |
| IE | 10.30 ± 0.10 | eV | NIST |
| IE | 10.61 ± 0.03 | eV | NIST |
| IE | 10.69 | eV | NIST |
| IE | 10.76 | eV | NIST |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 2.024 | Crippen Calculated Property | |
| McVol | 79.460 | ml/mol | McGowan Calculated Property |
| Pc | 3950.00 | kPa | KDB |
| Inp | [518.00; 551.00] |
|
|
| Inp | 524.00 | NIST | |
| Inp | 518.00 | NIST | |
| Inp | 521.00 | NIST | |
| Inp | 523.00 | NIST | |
| Inp | 525.00 | NIST | |
| Inp | 533.00 | NIST | |
| Inp | 530.00 | NIST | |
| Inp | 530.04 | NIST | |
| Inp | 530.66 | NIST | |
| Inp | 530.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 530.04 | NIST | |
| Tboil | [323.40; 325.20] | K |
|
| Tboil | 324.00 | K | KDB |
| Tboil | 323.88 | K | Study o... |
| Tboil | 323.88 | K | Vapor-L... |
| Tboil | Outlier 325.20 | K | NIST |
| Tboil | 324.00 | K | NIST |
| Tboil | 324.00 ± 0.40 | K | NIST |
| Tboil | 324.00 ± 2.00 | K | NIST |
| Tboil | 324.15 ± 1.50 | K | NIST |
| Tboil | 323.85 ± 0.30 | K | NIST |
| Tboil | 323.40 ± 0.50 | K | NIST |
| Tboil | 324.00 ± 0.30 | K | NIST |
| Tboil | 323.70 ± 0.30 | K | NIST |
| Tboil | 323.85 ± 0.30 | K | NIST |
| Tboil | 323.90 ± 0.40 | K | NIST |
| Tboil | 324.80 ± 0.50 | K | NIST |
| Tboil | 324.80 ± 0.50 | K | NIST |
| Tboil | 324.15 ± 0.30 | K | NIST |
| Tc | 507.00 | K | KDB |
| Tfus | [244.65; 250.30] | K |
|
| Tfus | 247.80 | K | KDB |
| Tfus | Outlier 250.30 ± 1.00 | K | NIST |
| Tfus | 246.15 ± 1.00 | K | NIST |
| Tfus | 246.10 ± 0.60 | K | NIST |
| Tfus | 246.05 ± 0.40 | K | NIST |
| Tfus | 248.20 ± 0.20 | K | NIST |
| Tfus | 247.80 ± 0.30 | K | NIST |
| Tfus | 246.10 ± 0.40 | K | NIST |
| Tfus | 244.65 ± 0.20 | K | NIST |
| Ttriple | [184.80; 247.53] | K |
|
| Ttriple | 184.80 | K | Solid b... |
| Ttriple | 247.53 ± 0.02 | K | NIST |
| Vc | 0.295 | m3/kmol | KDB |
| Zc | 0.2764230 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.81; 166.16] | J/mol×K | [325.12; 509.69] |
|
| Cp,gas | 118.81 | J/mol×K | 325.12 | Joback Calculated Property |
| Cp,gas | 127.87 | J/mol×K | 355.88 | Joback Calculated Property |
| Cp,gas | 136.43 | J/mol×K | 386.64 | Joback Calculated Property |
| Cp,gas | 144.52 | J/mol×K | 417.41 | Joback Calculated Property |
| Cp,gas | 152.16 | J/mol×K | 448.17 | Joback Calculated Property |
| Cp,gas | 159.37 | J/mol×K | 478.93 | Joback Calculated Property |
| Cp,gas | 166.16 | J/mol×K | 509.69 | Joback Calculated Property |
| Cp,liquid | [152.70; 172.80] | J/mol×K | [259.60; 298.15] |
|
| Cp,liquid | 152.70 | J/mol×K | 259.60 | NIST |
| Cp,liquid | 172.80 | J/mol×K | 272.73 | NIST |
| Cp,liquid | 162.00 | J/mol×K | 298.15 | NIST |
| η | [0.0003904; 0.0005980] | Pa×s | [283.15; 313.15] |
|
| η | 0.0005980 | Pa×s | 283.15 | Viscosi... |
| η | 0.0005538 | Pa×s | 288.15 | Viscosi... |
| η | 0.0005135 | Pa×s | 293.15 | Viscosi... |
| η | 0.0004768 | Pa×s | 298.15 | Viscosi... |
| η | 0.0004751 | Pa×s | 298.15 | Densiti... |
| η | 0.0004438 | Pa×s | 303.15 | Viscosi... |
| η | 0.0004196 | Pa×s | 308.15 | Viscosi... |
| η | 0.0003904 | Pa×s | 313.15 | Viscosi... |
| η | 0.0003907 | Pa×s | 313.15 | Densiti... |
| ΔfusH | [1.87; 5.88] | kJ/mol | [182.90; 248.40] |
|
| ΔfusH | 1.87 | kJ/mol | 182.90 | NIST |
| ΔfusH | 5.88 | kJ/mol | 219.30 | NIST |
| ΔfusH | 1.89 | kJ/mol | 247.80 | NIST |
| ΔfusH | 1.97 | kJ/mol | 248.10 | NIST |
| ΔfusH | 1.97 | kJ/mol | 248.10 | NIST |
| ΔfusH | 1.99 | kJ/mol | 248.40 | NIST |
| ΔvapH | [27.00; 32.30] | kJ/mol | [289.00; 324.00] |
|
| ΔvapH | 29.10 | kJ/mol | 289.00 | NIST |
| ΔvapH | 32.30 | kJ/mol | 305.50 | NIST |
| ΔvapH | 27.80 | kJ/mol | 309.00 | NIST |
| ΔvapH | 27.00 | kJ/mol | 309.00 | NIST |
| ΔvapH | 27.55 | kJ/mol | 324.00 | NIST |
| ν | [0.0000005; 0.0000007] | m2/s | [283.15; 313.15] |
|
| ν | 0.0000007 | m2/s | 283.15 | Experim... |
| ν | 0.0000006 | m2/s | 298.15 | Thermop... |
| ν | 0.0000006 | m2/s | 298.15 | Viscosi... |
| ν | 0.0000006 | m2/s | 298.15 | Experim... |
| ν | 0.0000005 | m2/s | 313.15 | Thermop... |
| ν | 0.0000005 | m2/s | 313.15 | Experim... |
| Pvap | [26.42; 59.52] | kPa | [288.15; 308.15] |
|
| Pvap | 26.42 | kPa | 288.15 | Isother... |
| Pvap | 26.42 | kPa | 288.15 | Experim... |
| Pvap | 26.42 | kPa | 288.15 | Experim... |
| Pvap | 26.42 | kPa | 288.15 | Article... |
| Pvap | 40.13 | kPa | 298.15 | Isother... |
| Pvap | 40.13 | kPa | 298.15 | Experim... |
| Pvap | 40.13 | kPa | 298.15 | Experim... |
| Pvap | 40.13 | kPa | 298.15 | Article... |
| Pvap | 59.52 | kPa | 308.15 | Isother... |
| Pvap | 59.52 | kPa | 308.15 | Experim... |
| Pvap | 59.52 | kPa | 308.15 | Experim... |
| Pvap | 59.52 | kPa | 308.15 | Article... |
| n0 | [1.37312; 1.39115] | [283.15; 313.15] |
|
|
| n0 | 1.39115 | 283.15 | Volumet... | |
| n0 | 1.38821 | 288.15 | Volumet... | |
| n0 | 1.38522 | 293.15 | Volumet... | |
| n0 | 1.38224 | 298.15 | Volumet... | |
| n0 | 1.38225 | 298.15 | Volumet... | |
| n0 | 1.37921 | 303.15 | Volumet... | |
| n0 | 1.37619 | 308.15 | Volumet... | |
| n0 | 1.37314 | 313.15 | Volumet... | |
| n0 | 1.37312 | 313.15 | Volumet... | |
| ρl | [835.67; 842.00] | kg/m3 | [293.00; 298.15] |
|
| ρl | 842.00 | kg/m3 | 293.00 | KDB |
| ρl | 836.45 | kg/m3 | 298.15 | Surface... |
| ρl | 836.45 | kg/m3 | 298.15 | Surface... |
| ρl | 835.67 | kg/m3 | 298.15 | Thermod... |
| ΔfusS | [7.95; 26.82] | J/mol×K | [182.90; 248.10] |
|
| ΔfusS | 10.25 | J/mol×K | 182.90 | NIST |
| ΔfusS | 26.82 | J/mol×K | 219.30 | NIST |
| ΔfusS | 7.95 | J/mol×K | 248.10 | NIST |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Mass density, kg/m3 - Liquid |
| 100.00 | 283.15 | 855.04 |
| 100.00 | 288.15 | 849.49 |
| 100.00 | 293.15 | 842.98 |
| 100.00 | 298.15 | 836.8 |
| 100.00 | 303.15 | 830.82 |
| 100.00 | 308.15 | 824.5 |
| 100.00 | 313.15 | 818.16 |
| 100.00 | 318.15 | 812.44 |
| 100.00 | 323.15 | 805.63 |
| 2000.00 | 283.15 | 857.34 |
| 2000.00 | 288.15 | 851.9 |
| 2000.00 | 293.15 | 845.52 |
| 2000.00 | 298.15 | 839.47 |
| 2000.00 | 303.15 | 833.52 |
| 2000.00 | 308.15 | 827.85 |
| 2000.00 | 313.15 | 821.21 |
| 2000.00 | 318.15 | 815.53 |
| 2000.00 | 323.15 | 808.87 |
| 5000.00 | 283.15 | 860.89 |
| 5000.00 | 288.15 | 855.68 |
| 5000.00 | 293.15 | 849.29 |
| 5000.00 | 298.15 | 843.49 |
| 5000.00 | 303.15 | 837.7 |
| 5000.00 | 308.15 | 832.26 |
| 5000.00 | 313.15 | 825.78 |
| 5000.00 | 318.15 | 820.32 |
| 5000.00 | 323.15 | 813.81 |
| 7000.00 | 283.15 | 863.25 |
| 7000.00 | 288.15 | 858.07 |
| 7000.00 | 293.15 | 851.78 |
| 7000.00 | 298.15 | 846.04 |
| 7000.00 | 303.15 | 840.35 |
| 7000.00 | 308.15 | 835.02 |
| 7000.00 | 313.15 | 828.59 |
| 7000.00 | 318.15 | 823.22 |
| 7000.00 | 323.15 | 816.94 |
| 10000.00 | 283.15 | 866.58 |
| 10000.00 | 288.15 | 861.54 |
| 10000.00 | 293.15 | 855.47 |
| 10000.00 | 298.15 | 849.77 |
| 10000.00 | 303.15 | 844.23 |
| 10000.00 | 308.15 | 839.07 |
| 10000.00 | 313.15 | 832.78 |
| 10000.00 | 318.15 | 827.64 |
| 10000.00 | 323.15 | 821.51 |
| 20000.00 | 283.15 | 877.11 |
| 20000.00 | 288.15 | 872.26 |
| 20000.00 | 293.15 | 866.52 |
| 20000.00 | 298.15 | 861.25 |
| 20000.00 | 303.15 | 855.99 |
| 20000.00 | 308.15 | 851.28 |
| 20000.00 | 313.15 | 845.4 |
| 20000.00 | 318.15 | 840.68 |
| 20000.00 | 323.15 | 834.91 |
| 30000.00 | 283.15 | 886.39 |
| 30000.00 | 288.15 | 881.97 |
| 30000.00 | 293.15 | 876.42 |
| 30000.00 | 298.15 | 871.55 |
| 30000.00 | 303.15 | 866.5 |
| 30000.00 | 308.15 | 862.19 |
| 30000.00 | 313.15 | 856.61 |
| 30000.00 | 318.15 | 852.24 |
| 30000.00 | 323.15 | 846.65 |
| 40000.00 | 283.15 | 895.03 |
| 40000.00 | 288.15 | 890.79 |
| 40000.00 | 293.15 | 885.44 |
| 40000.00 | 298.15 | 880.72 |
| 40000.00 | 303.15 | 875.98 |
| 40000.00 | 308.15 | 871.88 |
| 40000.00 | 313.15 | 866.61 |
| 40000.00 | 318.15 | 862.53 |
| 40000.00 | 323.15 | 857.22 |
| 50000.00 | 283.15 | 903.08 |
| 50000.00 | 288.15 | 898.94 |
| 50000.00 | 293.15 | 893.59 |
| 50000.00 | 298.15 | 889.39 |
| 50000.00 | 303.15 | 884.66 |
| 50000.00 | 308.15 | 880.77 |
| 50000.00 | 313.15 | 875.72 |
| 50000.00 | 318.15 | 871.96 |
| 50000.00 | 323.15 | 866.77 |
| 60000.00 | 283.15 | 910.34 |
| 60000.00 | 288.15 | 906.48 |
| 60000.00 | 293.15 | 901.48 |
| 60000.00 | 298.15 | 897.22 |
| 60000.00 | 303.15 | 892.77 |
| 60000.00 | 308.15 | 889.06 |
| 60000.00 | 313.15 | 884.23 |
| 60000.00 | 318.15 | 880.5 |
| 60000.00 | 323.15 | 875.56 |
| 65000.00 | 283.15 | 913.66 |
| 65000.00 | 288.15 | 910.15 |
| 65000.00 | 293.15 | 905.24 |
| 65000.00 | 298.15 | 900.97 |
| 65000.00 | 303.15 | 896.61 |
| 65000.00 | 308.15 | 892.9 |
| 65000.00 | 313.15 | 888.28 |
| 65000.00 | 318.15 | 884.5 |
| 65000.00 | 323.15 | 879.7 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [232.72; 347.21] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39693e+01 | |||
| Coefficient B | -2.69943e+03 | |||
| Coefficient C | -3.54210e+01 | |||
| Temperature range, min. | 232.72 | |||
| Temperature range, max. | 347.21 | |||
| Pvap | 1.33 | kPa | 232.72 | Calculated Property |
| Pvap | 3.05 | kPa | 245.44 | Calculated Property |
| Pvap | 6.36 | kPa | 258.16 | Calculated Property |
| Pvap | 12.24 | kPa | 270.88 | Calculated Property |
| Pvap | 22.03 | kPa | 283.60 | Calculated Property |
| Pvap | 37.44 | kPa | 296.33 | Calculated Property |
| Pvap | 60.58 | kPa | 309.05 | Calculated Property |
| Pvap | 93.89 | kPa | 321.77 | Calculated Property |
| Pvap | 140.21 | kPa | 334.49 | Calculated Property |
| Pvap | 202.64 | kPa | 347.21 | Calculated Property |
| Pvap | [1.42; 3874.01] | kPa | [235.00; 507.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.61650e+01 | |||
| Coefficient B | -5.86752e+03 | |||
| Coefficient C | -9.39992e+00 | |||
| Coefficient D | 8.62699e-06 | |||
| Temperature range, min. | 235.00 | |||
| Temperature range, max. | 507.00 | |||
| Pvap | 1.42 | kPa | 235.00 | Calculated Property |
| Pvap | 8.95 | kPa | 265.22 | Calculated Property |
| Pvap | 36.12 | kPa | 295.44 | Calculated Property |
| Pvap | 107.37 | kPa | 325.67 | Calculated Property |
| Pvap | 257.18 | kPa | 355.89 | Calculated Property |
| Pvap | 527.20 | kPa | 386.11 | Calculated Property |
| Pvap | 964.43 | kPa | 416.33 | Calculated Property |
| Pvap | 1622.32 | kPa | 446.56 | Calculated Property |
| Pvap | 2564.90 | kPa | 476.78 | Calculated Property |
| Pvap | 3874.01 | kPa | 507.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-chloro-2-methyl-.
Mixtures
- Tetrahydropyran + Propane, 2-chloro-2-methyl-
- Propane, 2-chloro-2-methyl- + Tetrahydrofuran
- Diisopropyl ether + Propane, 2-chloro-2-methyl-
- Heptane + Propane, 2-chloro-2-methyl-
- Propane, 2-chloro-2-methyl- + 1,4-Dioxane
- 1,3-Dioxolane + Propane, 2-chloro-2-methyl-
- Butane, 1-ethoxy- + Propane, 2-chloro-2-methyl-
- n-Hexane + Propane, 2-chloro-2-methyl-
- Propane, 2-chloro-2-methyl- + Furan, tetrahydro-2-methyl-
- 1-Propanol, 2,2-dimethyl- + Propane, 2-chloro-2-methyl-
- Propane, 2-chloro-2-methyl- + Pentane, 3-methyl-
- Propane, 2-chloro-2-methyl- + Butane, 2,2-dimethyl-
- Toluene + Propane, 2-chloro-2-methyl-
- Benzene + Propane, 2-chloro-2-methyl-
- Propane, 2-chloro-2-methyl- + o-Xylene
- p-Xylene + Propane, 2-chloro-2-methyl-
- Benzene, 1,3-dimethyl- + Propane, 2-chloro-2-methyl-
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- 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
- 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
- Solid binary mixtures of neopentanol with tert-Butyl chloride and carbon tetrachloride studied by thermal, X-ray and dielectric techniques
- 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
- Molar Excess Volume of sec- and tert-Butyl Chloride with Aromatic Hydrocarbons at T = 298.15 K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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