- InChI
- InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
- InChI Key
- GXDHCNNESPLIKD-UHFFFAOYSA-N
- Formula
- C7H16
- SMILES
- CCCCC(C)C
- Molecular Weight1
- 100.20
- CAS
- 591-76-4
- Other Names
-
- 2-Methylhexane
- ISOHEPTANE
- ω : Acentric Factor.
- AP : Aniline Point (K).
- 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).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- 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.
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°gas : Molar entropy at standard conditions (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λ : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3290 | KDB | |
| AP | 347.150 | K | KDB |
| ΔcH°liquid | [-4811.50; -4810.00] | kJ/mol |
|
| ΔcH°liquid | -4811.50 ± 1.20 | kJ/mol | NIST |
| ΔcH°liquid | -4810.00 ± 1.00 | kJ/mol | NIST |
| μ | 0.00 | debye | KDB |
| ΔfG° | 3.22 | kJ/mol | KDB |
| Δc,grossH | 4811.48 | kJ/mol | KDB |
| Δc,netH | 4459.350 | kJ/mol | KDB |
| ΔfH°gas | [-196.20; -195.00] | kJ/mol |
|
| ΔfH°gas | -195.10 | kJ/mol | KDB |
| ΔfH°gas | -195.00 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -196.20 | kJ/mol | NIST |
| ΔfH°liquid | [-231.00; -229.80] | kJ/mol |
|
| ΔfH°liquid | -229.80 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | -231.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 10.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.80; 34.98] | kJ/mol |
|
| ΔvapH° | 34.98 | kJ/mol | NIST |
| ΔvapH° | 34.90 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 34.80 | kJ/mol | NIST |
| ΔvapH° | 34.80 | kJ/mol | NIST |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 109.490 | ml/mol | McGowan Calculated Property |
| Pc | [2732.80; 2756.04] | kPa |
|
| Pc | 2740.00 | kPa | KDB |
| Pc | 2740.00 ± 20.00 | kPa | NIST |
| Pc | 2750.00 ± 25.00 | kPa | NIST |
| Pc | 2732.80 ± 40.53 | kPa | NIST |
| Pc | 2756.04 ± 50.66 | kPa | NIST |
| ρc | [238.48; 238.48] | kg/m3 |
|
| ρc | 238.48 ± 2.00 | kg/m3 | NIST |
| ρc | 238.48 ± 5.01 | kg/m3 | NIST |
| Inp | [654.00; 676.00] |
|
|
| Inp | 666.90 | NIST | |
| Inp | 667.30 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 664.70 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.70 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 667.60 | NIST | |
| Inp | 667.70 | NIST | |
| Inp | 667.60 | NIST | |
| Inp | 668.10 | NIST | |
| Inp | 666.60 | NIST | |
| Inp | 666.90 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 666.10 | NIST | |
| Inp | 666.40 | NIST | |
| Inp | 667.10 | NIST | |
| Inp | 667.40 | NIST | |
| Inp | 667.50 | NIST | |
| Inp | 667.60 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 666.60 | NIST | |
| Inp | 667.10 | NIST | |
| Inp | 666.60 | NIST | |
| Inp | 666.20 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 669.01 | NIST | |
| Inp | 669.50 | NIST | |
| Inp | 669.95 | NIST | |
| Inp | 668.35 | NIST | |
| Inp | 668.68 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.90 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.50 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | Outlier 658.00 | NIST | |
| Inp | 667.60 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 664.80 | NIST | |
| Inp | Outlier 656.80 | NIST | |
| Inp | Outlier 657.59 | NIST | |
| Inp | 663.60 | NIST | |
| Inp | 662.90 | NIST | |
| Inp | Outlier 656.90 | NIST | |
| Inp | 659.60 | NIST | |
| Inp | 660.46 | NIST | |
| Inp | 660.54 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 661.02 | NIST | |
| Inp | 661.15 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 667.40 | NIST | |
| Inp | 667.70 | NIST | |
| Inp | 667.40 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 658.98 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | Outlier 657.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | Outlier 654.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 662.50 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | Outlier 658.18 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | Outlier 658.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | Outlier 676.00 | NIST | |
| Inp | Outlier 674.00 | NIST | |
| Inp | Outlier 676.00 | NIST | |
| Inp | Outlier 674.00 | NIST | |
| Inp | 667.60 | NIST | |
| Inp | 666.90 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.70 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 666.10 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 668.68 | NIST | |
| Inp | Outlier 658.18 | NIST | |
| Inp | Outlier 658.00 | NIST | |
| Inp | Outlier 676.00 | NIST | |
| Inp | 658.98 | NIST | |
| Inp | 664.80 | NIST | |
| Inp | Outlier 656.90 | NIST | |
| Inp | 661.02 | NIST | |
| Inp | 667.40 | NIST | |
| Inp | 659.00 | NIST | |
| I | [650.00; 650.00] |
|
|
| I | 650.00 | NIST | |
| I | 650.00 | NIST | |
| S°gas | 419.99 | J/mol×K | NIST |
| S°liquid | [314.60; 323.34] | J/mol×K |
|
| S°liquid | 323.34 | J/mol×K | NIST |
| S°liquid | 315.10 | J/mol×K | NIST |
| S°liquid | 314.60 | J/mol×K | NIST |
| Tboil | 363.19 | K | KDB |
| Tc | 530.40 | K | KDB |
| Tfus | [152.85; 154.95] | K |
|
| Tfus | 154.90 | K | KDB |
| Tfus | 154.87 ± 0.02 | K | NIST |
| Tfus | 154.86 ± 0.04 | K | NIST |
| Tfus | 154.85 ± 0.02 | K | NIST |
| Tfus | 154.86 ± 0.03 | K | NIST |
| Tfus | 154.88 ± 0.02 | K | NIST |
| Tfus | 154.39 ± 0.05 | K | NIST |
| Tfus | 154.87 ± 0.03 | K | NIST |
| Tfus | 154.95 ± 0.50 | K | NIST |
| Tfus | 154.91 ± 0.30 | K | NIST |
| Tfus | 154.89 ± 0.20 | K | NIST |
| Tfus | 154.89 ± 0.20 | K | NIST |
| Tfus | 154.82 ± 0.03 | K | NIST |
| Tfus | 154.83 ± 0.02 | K | NIST |
| Tfus | 154.88 ± 0.02 | K | NIST |
| Tfus | 154.65 ± 0.30 | K | NIST |
| Tfus | 154.65 ± 0.50 | K | NIST |
| Tfus | 154.95 ± 0.50 | K | NIST |
| Tfus | Outlier 152.85 ± 0.30 | K | NIST |
| Tfus | 154.95 ± 0.50 | K | NIST |
| Tfus | 154.25 ± 0.20 | K | NIST |
| Tfus | 154.05 ± 0.50 | K | NIST |
| Tfus | 154.05 ± 0.50 | K | NIST |
| Tfus | 154.05 ± 0.50 | K | NIST |
| Ttriple | [154.00; 154.90] | K |
|
| Ttriple | 154.86 ± 0.09 | K | NIST |
| Ttriple | 154.90 ± 0.06 | K | NIST |
| Ttriple | 154.86 ± 0.04 | K | NIST |
| Ttriple | 154.90 ± 0.02 | K | NIST |
| Ttriple | 154.00 ± 0.20 | K | NIST |
| Ttriple | 154.00 ± 0.20 | K | NIST |
| Vc | [0.421; 0.421] | m3/kmol |
|
| Vc | 0.421 | m3/kmol | KDB |
| Vc | 0.421 | m3/kmol | NIST |
| Zc | 0.2615730 | KDB | |
| Zra | 0.26 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.02; 260.72] | J/mol×K | [359.12; 526.54] |
|
| Cp,gas | 194.02 | J/mol×K | 359.12 | Joback Calculated Property |
| Cp,gas | 206.19 | J/mol×K | 387.02 | Joback Calculated Property |
| Cp,gas | 217.92 | J/mol×K | 414.93 | Joback Calculated Property |
| Cp,gas | 229.23 | J/mol×K | 442.83 | Joback Calculated Property |
| Cp,gas | 240.13 | J/mol×K | 470.73 | Joback Calculated Property |
| Cp,gas | 250.62 | J/mol×K | 498.63 | Joback Calculated Property |
| Cp,gas | 260.72 | J/mol×K | 526.54 | Joback Calculated Property |
| Cp,liquid | [219.20; 222.92] | J/mol×K | [292.40; 298.15] |
|
| Cp,liquid | 219.20 | J/mol×K | 292.40 | NIST |
| Cp,liquid | 222.92 | J/mol×K | 298.15 | NIST |
| η | [0.0002348; 0.0099972] | Pa×s | [153.65; 359.12] |
|
| η | 0.0099972 | Pa×s | 153.65 | Joback Calculated Property |
| η | 0.0030264 | Pa×s | 187.90 | Joback Calculated Property |
| η | 0.0013243 | Pa×s | 222.14 | Joback Calculated Property |
| η | 0.0007226 | Pa×s | 256.38 | Joback Calculated Property |
| η | 0.0004548 | Pa×s | 290.63 | Joback Calculated Property |
| η | 0.0003156 | Pa×s | 324.88 | Joback Calculated Property |
| η | 0.0002348 | Pa×s | 359.12 | Joback Calculated Property |
| ΔfusH | [8.87; 9.18] | kJ/mol | [154.00; 154.90] |
|
| ΔfusH | 8.87 | kJ/mol | 154.00 | NIST |
| ΔfusH | 8.87 | kJ/mol | 154.00 | NIST |
| ΔfusH | 9.18 | kJ/mol | 154.90 | NIST |
| ΔfusH | 9.18 | kJ/mol | 154.90 | NIST |
| ΔfusH | 9.18 | kJ/mol | 154.90 | NIST |
| ΔvapH | [30.62; 34.80] | kJ/mol | [313.00; 363.20] |
|
| ΔvapH | 33.90 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 34.80 | kJ/mol | 327.50 | NIST |
| ΔvapH | 34.60 | kJ/mol | 330.50 | NIST |
| ΔvapH | 32.70 ± 0.10 | kJ/mol | 333.00 | NIST |
| ΔvapH | 31.30 ± 0.10 | kJ/mol | 353.00 | NIST |
| ΔvapH | 30.62 | kJ/mol | 363.20 | NIST |
| ΔvapH | 30.67 | kJ/mol | 363.20 | KDB |
| n0 | 1.38227 | 298.15 | KDB | |
| ρl | 679.00 | kg/m3 | 293.00 | KDB |
| ΔfusS | [57.60; 59.29] | J/mol×K | [154.00; 154.90] |
|
| ΔfusS | 57.60 | J/mol×K | 154.00 | NIST |
| ΔfusS | 57.60 | J/mol×K | 154.00 | NIST |
| ΔfusS | 59.29 | J/mol×K | 154.90 | NIST |
| γ | 0.02 | N/m | 298.20 | KDB |
| λ | [0.10; 0.12] | W/m×K | [256.24; 338.11] |
|
| λ | 0.12 | W/m×K | 256.24 | Thermal... |
| λ | 0.12 | W/m×K | 256.67 | Thermal... |
| λ | 0.12 | W/m×K | 257.02 | Thermal... |
| λ | 0.12 | W/m×K | 275.56 | Thermal... |
| λ | 0.12 | W/m×K | 276.00 | Thermal... |
| λ | 0.12 | W/m×K | 276.39 | Thermal... |
| λ | 0.11 | W/m×K | 296.46 | Thermal... |
| λ | 0.11 | W/m×K | 296.93 | Thermal... |
| λ | 0.11 | W/m×K | 297.40 | Thermal... |
| λ | 0.10 | W/m×K | 317.40 | Thermal... |
| λ | 0.10 | W/m×K | 317.92 | Thermal... |
| λ | 0.10 | W/m×K | 318.35 | Thermal... |
| λ | 0.10 | W/m×K | 337.10 | Thermal... |
| λ | 0.10 | W/m×K | 337.65 | Thermal... |
| λ | 0.10 | W/m×K | 338.11 | Thermal... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [263.60; 388.11] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42374e+01 | |||
| Coefficient B | -3.08596e+03 | |||
| Coefficient C | -4.23820e+01 | |||
| Temperature range, min. | 263.60 | |||
| Temperature range, max. | 388.11 | |||
| Pvap | 1.33 | kPa | 263.60 | Calculated Property |
| Pvap | 3.03 | kPa | 277.43 | Calculated Property |
| Pvap | 6.29 | kPa | 291.27 | Calculated Property |
| Pvap | 12.08 | kPa | 305.10 | Calculated Property |
| Pvap | 21.73 | kPa | 318.94 | Calculated Property |
| Pvap | 36.98 | kPa | 332.77 | Calculated Property |
| Pvap | 59.96 | kPa | 346.61 | Calculated Property |
| Pvap | 93.22 | kPa | 360.44 | Calculated Property |
| Pvap | 139.68 | kPa | 374.28 | Calculated Property |
| Pvap | 202.64 | kPa | 388.11 | Calculated Property |
| Pvap | [1.91e-06; 2759.35] | kPa | [154.90; 530.37] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.26032e+01 | |||
| Coefficient B | -7.22527e+03 | |||
| Coefficient C | -1.17722e+01 | |||
| Coefficient D | 9.94213e-06 | |||
| Temperature range, min. | 154.90 | |||
| Temperature range, max. | 530.37 | |||
| Pvap | 1.91e-06 | kPa | 154.90 | Calculated Property |
| Pvap | 2.65e-03 | kPa | 196.62 | Calculated Property |
| Pvap | 0.20 | kPa | 238.34 | Calculated Property |
| Pvap | 3.48 | kPa | 280.06 | Calculated Property |
| Pvap | 24.71 | kPa | 321.78 | Calculated Property |
| Pvap | 102.85 | kPa | 363.49 | Calculated Property |
| Pvap | 304.75 | kPa | 405.21 | Calculated Property |
| Pvap | 723.26 | kPa | 446.93 | Calculated Property |
| Pvap | 1482.46 | kPa | 488.65 | Calculated Property |
| Pvap | 2759.35 | kPa | 530.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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