- InChI
- InChI=1S/C9H20/c1-6-7-8(2)9(3,4)5/h8H,6-7H2,1-5H3
- InChI Key
- CBVFSZDQEHBJEQ-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CCCC(C)C(C)(C)C
- Molecular Weight1
- 128.26
- CAS
- 16747-25-4
- Other Names
-
- 2,2,3-Trimethylhexane
- 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).
- 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).
- 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.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 | 0.3320 | KDB | |
| AP | 345.150 | K | KDB |
| ΔcH°liquid | -6117.22 ± 0.75 | kJ/mol | NIST |
| ΔfG° | 24.53 | kJ/mol | KDB |
| Δc,grossH | 6117.22 | kJ/mol | KDB |
| Δc,netH | 5677.102 | kJ/mol | KDB |
| ΔfH°gas | -241.40 | kJ/mol | KDB |
| ΔfH°liquid | -282.70 ± 0.92 | kJ/mol | NIST |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.70 | kJ/mol | NIST |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2490.00 | kPa | KDB |
| Inp | [818.00; 842.00] |
|
|
| Inp | 823.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 820.80 | NIST | |
| Inp | 824.80 | NIST | |
| Inp | 824.70 | NIST | |
| Inp | 824.80 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.30 | NIST | |
| Inp | 824.20 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | Outlier 842.00 | NIST | |
| Inp | Outlier 834.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | Outlier 835.50 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 823.10 | NIST | |
| Inp | 820.18 | NIST | |
| Inp | 821.86 | NIST | |
| Inp | 822.87 | NIST | |
| Inp | 820.26 | NIST | |
| Inp | 821.85 | NIST | |
| Inp | 822.87 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | Outlier 833.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.10 | NIST | |
| Inp | 821.85 | NIST | |
| Tboil | [404.85; 407.40] | K |
|
| Tboil | 406.80 | K | KDB |
| Tboil | 407.40 ± 1.50 | K | NIST |
| Tboil | 404.85 ± 1.00 | K | NIST |
| Tboil | 406.55 ± 0.50 | K | NIST |
| Tc | 588.00 | K | KDB |
| Tfus | 153.00 | K | KDB |
| Vc | 0.499 | m3/kmol | KDB |
| Zc | 0.2540970 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.89; 359.82] | J/mol×K | [401.65; 579.13] |
|
| Cp,gas | 273.89 | J/mol×K | 401.65 | Joback Calculated Property |
| Cp,gas | 289.98 | J/mol×K | 431.23 | Joback Calculated Property |
| Cp,gas | 305.33 | J/mol×K | 460.81 | Joback Calculated Property |
| Cp,gas | 319.96 | J/mol×K | 490.39 | Joback Calculated Property |
| Cp,gas | 333.90 | J/mol×K | 519.97 | Joback Calculated Property |
| Cp,gas | 347.18 | J/mol×K | 549.55 | Joback Calculated Property |
| Cp,gas | 359.82 | J/mol×K | 579.13 | Joback Calculated Property |
| η | [0.0002558; 0.0222427] | Pa×s | [178.61; 401.65] |
|
| η | 0.0222427 | Pa×s | 178.61 | Joback Calculated Property |
| η | 0.0055664 | Pa×s | 215.78 | Joback Calculated Property |
| η | 0.0020930 | Pa×s | 252.96 | Joback Calculated Property |
| η | 0.0010112 | Pa×s | 290.13 | Joback Calculated Property |
| η | 0.0005763 | Pa×s | 327.30 | Joback Calculated Property |
| η | 0.0003684 | Pa×s | 364.48 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 401.65 | Joback Calculated Property |
| ΔvapH | [34.77; 42.20] | kJ/mol | [270.50; 406.80] |
|
| ΔvapH | 42.20 | kJ/mol | 270.50 | NIST |
| ΔvapH | 34.77 | kJ/mol | 406.80 | KDB |
| n0 | 1.40820 | 298.15 | KDB | |
| ρl | 729.00 | kg/m3 | 293.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [296.04; 434.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40222e+01 | |||
| Coefficient B | -3.30174e+03 | |||
| Coefficient C | -5.56440e+01 | |||
| Temperature range, min. | 296.04 | |||
| Temperature range, max. | 434.69 | |||
| Pvap | 1.33 | kPa | 296.04 | Calculated Property |
| Pvap | 3.05 | kPa | 311.45 | Calculated Property |
| Pvap | 6.35 | kPa | 326.85 | Calculated Property |
| Pvap | 12.21 | kPa | 342.26 | Calculated Property |
| Pvap | 21.98 | kPa | 357.66 | Calculated Property |
| Pvap | 37.36 | kPa | 373.07 | Calculated Property |
| Pvap | 60.46 | kPa | 388.47 | Calculated Property |
| Pvap | 93.77 | kPa | 403.88 | Calculated Property |
| Pvap | 140.12 | kPa | 419.28 | Calculated Property |
| Pvap | 202.66 | kPa | 434.69 | Calculated Property |
| Pvap | [0.02; 2479.20] | kPa | [238.15; 588.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.12646e+01 | |||
| Coefficient B | -7.58830e+03 | |||
| Coefficient C | -9.81514e+00 | |||
| Coefficient D | 5.91435e-06 | |||
| Temperature range, min. | 238.15 | |||
| Temperature range, max. | 588.00 | |||
| Pvap | 0.02 | kPa | 238.15 | Calculated Property |
| Pvap | 0.42 | kPa | 277.02 | Calculated Property |
| Pvap | 3.83 | kPa | 315.89 | Calculated Property |
| Pvap | 19.89 | kPa | 354.77 | Calculated Property |
| Pvap | 70.39 | kPa | 393.64 | Calculated Property |
| Pvap | 190.98 | kPa | 432.51 | Calculated Property |
| Pvap | 429.25 | kPa | 471.38 | Calculated Property |
| Pvap | 842.48 | kPa | 510.26 | Calculated Property |
| Pvap | 1498.21 | kPa | 549.13 | Calculated Property |
| Pvap | 2479.20 | kPa | 588.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,2,3-trimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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