- InChI
- InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3
- InChI Key
- CRNIHJHMEQZAAS-UHFFFAOYSA-N
- Formula
- C5H11Cl
- SMILES
- CCC(C)(C)Cl
- Molecular Weight1
- 106.59
- CAS
- 594-36-5
- Other Names
-
- 1,1-Dimethylpropyl chloride
- 2-Chloro-2-methylbutane
- 2-Methyl-2-chlorobutane
- Tertiary pentyl chloride
- tert-Amyl Chloride
- tert-Pentyl Chloride
- ω : Acentric Factor.
- 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).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.2309 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3327.50 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -17.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -235.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 5.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.51; -2.51] |
|
|
| log10WS | -2.51 | Aq. Solubility Prediction | |
| log10WS | -2.51 | Estimated Solubility | |
| logPoct/wat | 2.414 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [638.00; 671.00] |
|
|
| Inp | 671.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 647.88 | NIST | |
| Inp | 647.89 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 657.00 | NIST | |
| Ip | [826.00; 849.00] |
|
|
| Ip | 826.00 | NIST | |
| Ip | 849.00 | NIST | |
| Ip | 837.00 | NIST | |
| Tboil | [358.00; 358.80] | K |
|
| Tboil | 358.80 | K | NIST |
| Tboil | 358.00 ± 2.00 | K | NIST |
| Tboil | 358.15 ± 2.00 | K | NIST |
| Tboil | 358.75 ± 0.50 | K | NIST |
| Tboil | 358.80 ± 0.20 | K | NIST |
| Tc | 509.10 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tfus | [199.77; 200.45] | K |
|
| Tfus | 199.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 199.77 | K | Aq. Solubility Prediction |
| Tfus | 200.00 ± 5.00 | K | NIST |
| Tfus | 200.45 ± 0.50 | K | NIST |
| Vc | 0.345 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [33.50; 35.00] | kJ/mol | [338.00; 356.20] |
|
| ΔvapH | 35.00 | kJ/mol | 338.00 | NIST |
| ΔvapH | 33.50 ± 0.84 | kJ/mol | 356.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.50; 287.02] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.32390e+01 | |||
| Coefficient B | 6.11460e-01 | |||
| Coefficient C | -4.40400e-04 | |||
| Coefficient D | 1.29200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 153.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 179.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 202.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 238.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 265.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 277.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 287.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043772; 0.0003197] | Pa×s | [200.03; 356.37] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13960e+01 | |||
| Coefficient B | 1.19310e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 200.03 | |||
| Temperature range, max. | 356.37 | |||
| η | 0.0043772 | Pa×s | 200.03 | Calculated Property |
| η | 0.0027178 | Pa×s | 217.40 | Calculated Property |
| η | 0.0018108 | Pa×s | 234.77 | Calculated Property |
| η | 0.0012759 | Pa×s | 252.14 | Calculated Property |
| η | 0.0009405 | Pa×s | 269.51 | Calculated Property |
| η | 0.0007194 | Pa×s | 286.89 | Calculated Property |
| η | 0.0005673 | Pa×s | 304.26 | Calculated Property |
| η | 0.0004590 | Pa×s | 321.63 | Calculated Property |
| η | 0.0003796 | Pa×s | 339.00 | Calculated Property |
| η | 0.0003197 | Pa×s | 356.37 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [268.01; 380.53] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54520e+01 | |||
| Coefficient B | -3.44417e+03 | |||
| Coefficient C | -4.08850e+01 | |||
| Temperature range, min. | 268.01 | |||
| Temperature range, max. | 380.53 | |||
| Pvap | 1.33 | kPa | 268.01 | Calculated Property |
| Pvap | 2.94 | kPa | 280.51 | Calculated Property |
| Pvap | 6.00 | kPa | 293.01 | Calculated Property |
| Pvap | 11.44 | kPa | 305.52 | Calculated Property |
| Pvap | 20.58 | kPa | 318.02 | Calculated Property |
| Pvap | 35.18 | kPa | 330.52 | Calculated Property |
| Pvap | 57.55 | kPa | 343.02 | Calculated Property |
| Pvap | 90.52 | kPa | 355.53 | Calculated Property |
| Pvap | 137.54 | kPa | 368.03 | Calculated Property |
| Pvap | 202.64 | kPa | 380.53 | Calculated Property |
| Pvap | [4.06; 3380.72] | kPa | [280.15; 548.97] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.20848e+01 | |||
| Coefficient B | -6.87078e+03 | |||
| Coefficient C | -1.00577e+01 | |||
| Coefficient D | 6.64130e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 280.15 | |||
| Temperature range, max. | 548.97 | |||
| Pvap | 4.06 | kPa | 280.15 | Calculated Property |
| Pvap | 17.52 | kPa | 310.02 | Calculated Property |
| Pvap | 55.39 | kPa | 339.89 | Calculated Property |
| Pvap | 139.92 | kPa | 369.76 | Calculated Property |
| Pvap | 299.23 | kPa | 399.63 | Calculated Property |
| Pvap | 564.75 | kPa | 429.49 | Calculated Property |
| Pvap | 969.40 | kPa | 459.36 | Calculated Property |
| Pvap | 1547.55 | kPa | 489.23 | Calculated Property |
| Pvap | 2336.71 | kPa | 519.10 | Calculated Property |
| Pvap | 3380.72 | kPa | 548.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-chloro-2-methyl-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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