- 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
- TERT-AMYL CHLORIDE
- TERT-PENTYL CHLORIDE
- Tertiary pentyl chloride
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3327.50 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -17.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.02 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -235.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 5.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.81 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.51; -2.51] |
|
|
| log10WS | -2.51 | Aq. Sol... | |
| log10WS | -2.51 | Estimat... | |
| 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 | 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 | 671.00 | NIST | |
| Inp | 657.00 | NIST | |
| I | [826.00; 849.00] |
|
|
| I | 826.00 | NIST | |
| I | 849.00 | NIST | |
| I | 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 | 532.51 | K | Joback Calculated Property |
| Tfus | [199.77; 200.45] | K |
|
| Tfus | 199.77 | K | Aq. Sol... |
| Tfus | 200.00 ± 5.00 | K | NIST |
| Tfus | 200.45 ± 0.50 | K | NIST |
| Vc | 0.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.66; 207.00] | J/mol×K | [348.00; 532.51] |
|
| Cp,gas | 151.66 | J/mol×K | 348.00 | Joback Calculated Property |
| Cp,gas | 162.20 | J/mol×K | 378.75 | Joback Calculated Property |
| Cp,gas | 172.18 | J/mol×K | 409.50 | Joback Calculated Property |
| Cp,gas | 181.62 | J/mol×K | 440.25 | Joback Calculated Property |
| Cp,gas | 190.56 | J/mol×K | 471.01 | Joback Calculated Property |
| Cp,gas | 199.01 | J/mol×K | 501.76 | Joback Calculated Property |
| Cp,gas | 207.00 | J/mol×K | 532.51 | Joback Calculated Property |
| η | [0.0003465; 0.0090043] | Pa×s | [178.45; 348.00] |
|
| η | 0.0090043 | Pa×s | 178.45 | Joback Calculated Property |
| η | 0.0036100 | Pa×s | 206.71 | Joback Calculated Property |
| η | 0.0018032 | Pa×s | 234.97 | Joback Calculated Property |
| η | 0.0010454 | Pa×s | 263.23 | Joback Calculated Property |
| η | 0.0006737 | Pa×s | 291.48 | Joback Calculated Property |
| η | 0.0004692 | Pa×s | 319.74 | Joback Calculated Property |
| η | 0.0003465 | Pa×s | 348.00 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [268.01; 380.53] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.20848e+01 | |||
| Coefficient B | -6.87078e+03 | |||
| Coefficient C | -1.00577e+01 | |||
| Coefficient D | 6.64130e-06 | |||
| 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
- 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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