- InChI
- InChI=1S/C6H13Cl/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3
- InChI Key
- WIMBRKMSNRCNMP-UHFFFAOYSA-N
- Formula
- C6H13Cl
- SMILES
- CC(C)CC(C)Cl
- Molecular Weight1
- 120.62
- CAS
- 25346-32-1
- Other Names
-
- 2-Chloro-4-methylpentane
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
- 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 | 0.3097 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.660 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Inp | [754.00; 800.00] |
|
|
| Inp | 754.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 763.00 | NIST | |
| Tboil | 385.84 | K | Relay (1.0) Calculated Property |
| Tc | 571.79 | K | Relay (1.0) Calculated Property |
| Tfus | 173.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.54; 338.22] | 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 | 6.96100e+00 | |||
| Coefficient B | 5.92460e-01 | |||
| Coefficient C | -3.29400e-04 | |||
| Coefficient D | 6.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 178.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 234.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 257.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 278.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 296.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 312.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 326.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 338.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0170744; 0.0002456] | Pa×s | [157.30; 387.88] |
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 | -1.12053e+01 | |||
| Coefficient B | 1.12236e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 157.30 | |||
| Temperature range, max. | 387.88 | |||
| η | 0.0170744 | Pa×s | 157.30 | Calculated Property |
| η | 0.0062854 | Pa×s | 182.92 | Calculated Property |
| η | 0.0029577 | Pa×s | 208.54 | Calculated Property |
| η | 0.0016414 | Pa×s | 234.16 | Calculated Property |
| η | 0.0010231 | Pa×s | 259.78 | Calculated Property |
| η | 0.0006942 | Pa×s | 285.40 | Calculated Property |
| η | 0.0005021 | Pa×s | 311.02 | Calculated Property |
| η | 0.0003815 | Pa×s | 336.64 | Calculated Property |
| η | 0.0003014 | Pa×s | 362.26 | Calculated Property |
| η | 0.0002456 | Pa×s | 387.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [289.92; 424.01] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43566e+01 | |||
| Coefficient B | -3.39655e+03 | |||
| Coefficient C | -4.85000e+01 | |||
| Temperature range, min. | 289.92 | |||
| Temperature range, max. | 424.01 | |||
| Pvap | 1.33 | kPa | 289.92 | Calculated Property |
| Pvap | 3.02 | kPa | 304.82 | Calculated Property |
| Pvap | 6.25 | kPa | 319.72 | Calculated Property |
| Pvap | 12.01 | kPa | 334.62 | Calculated Property |
| Pvap | 21.61 | kPa | 349.52 | Calculated Property |
| Pvap | 36.79 | kPa | 364.41 | Calculated Property |
| Pvap | 59.70 | kPa | 379.31 | Calculated Property |
| Pvap | 92.93 | kPa | 394.21 | Calculated Property |
| Pvap | 139.46 | kPa | 409.11 | Calculated Property |
| Pvap | 202.65 | kPa | 424.01 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 2-chloro-4-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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