- InChI
- InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
- InChI Key
- VZFMYOCAEQDWDY-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CC(C)C(C)C(C)(C)C
- Molecular Weight1
- 128.26
- CAS
- 1186-53-4
- Other Names
-
- 2,2,3,4-Tetramethylpentane
- 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3130 | KDB | |
| ΔcH°liquid | -6122.20 ± 1.20 | kJ/mol | NIST |
| ΔfG° | 32.66 | kJ/mol | KDB |
| Δc,grossH | 6122.20 | kJ/mol | KDB |
| Δc,netH | 5682.082 | kJ/mol | KDB |
| ΔfH°gas | -237.10 | kJ/mol | KDB |
| ΔfusH° | 4.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.80 | kJ/mol | NIST |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 3.325 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | [2600.00; 2602.00] | kPa |
|
| Pc | 2600.00 | kPa | KDB |
| Pc | 2600.00 ± 40.00 | kPa | NIST |
| Pc | 2602.00 ± 20.00 | kPa | NIST |
| Inp | [814.00; 828.30] |
|
|
| Inp | 822.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 819.40 | NIST | |
| Inp | 824.80 | NIST | |
| Inp | 819.90 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 827.80 | NIST | |
| Inp | 827.80 | NIST | |
| Inp | Outlier 828.30 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 821.90 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 820.10 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 816.60 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 825.00 | NIST | |
| Tboil | [406.15; 406.20] | K |
|
| Tboil | 406.18 | K | KDB |
| Tboil | Outlier 406.20 | K | NIST |
| Tboil | 406.15 ± 1.00 | K | NIST |
| Tboil | 406.16 ± 0.03 | K | NIST |
| Tboil | 406.15 ± 1.50 | K | NIST |
| Tboil | 406.15 ± 0.50 | K | NIST |
| Tboil | 406.16 ± 0.10 | K | NIST |
| Tboil | 406.15 ± 0.40 | K | NIST |
| Tc | [592.60; 592.65] | K |
|
| Tc | 592.60 | K | KDB |
| Tc | 592.60 ± 0.50 | K | NIST |
| Tc | 592.65 ± 0.12 | K | NIST |
| Tfus | [150.95; 152.06] | K |
|
| Tfus | 152.06 | K | KDB |
| Tfus | 150.95 ± 0.20 | K | NIST |
| Tfus | 152.06 ± 0.08 | K | NIST |
| Tfus | 152.06 ± 0.10 | K | NIST |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.79; 361.94] | J/mol×K | [401.21; 582.85] |
|
| Cp,gas | 273.79 | J/mol×K | 401.21 | Joback Calculated Property |
| Cp,gas | 290.35 | J/mol×K | 431.48 | Joback Calculated Property |
| Cp,gas | 306.13 | J/mol×K | 461.76 | Joback Calculated Property |
| Cp,gas | 321.15 | J/mol×K | 492.03 | Joback Calculated Property |
| Cp,gas | 335.44 | J/mol×K | 522.31 | Joback Calculated Property |
| Cp,gas | 349.03 | J/mol×K | 552.58 | Joback Calculated Property |
| Cp,gas | 361.94 | J/mol×K | 582.85 | Joback Calculated Property |
| η | [0.0002468; 0.0512340] | Pa×s | [163.61; 401.21] |
|
| η | 0.0512340 | Pa×s | 163.61 | Joback Calculated Property |
| η | 0.0088523 | Pa×s | 203.21 | Joback Calculated Property |
| η | 0.0027119 | Pa×s | 242.81 | Joback Calculated Property |
| η | 0.0011576 | Pa×s | 282.41 | Joback Calculated Property |
| η | 0.0006093 | Pa×s | 322.01 | Joback Calculated Property |
| η | 0.0003691 | Pa×s | 361.61 | Joback Calculated Property |
| η | 0.0002468 | Pa×s | 401.21 | Joback Calculated Property |
| ΔvapH | [34.27; 38.40] | kJ/mol | [369.00; 406.20] |
|
| ΔvapH | 38.40 | kJ/mol | 369.00 | NIST |
| ΔvapH | 34.27 | kJ/mol | 406.20 | KDB |
| n0 | 1.41246 | 298.15 | KDB | |
| ρl | 739.00 | 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 | [292.90; 434.62] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41481e+01 | |||
| Coefficient B | -3.45501e+03 | |||
| Coefficient C | -4.36320e+01 | |||
| Temperature range, min. | 292.90 | |||
| Temperature range, max. | 434.62 | |||
| Pvap | 1.33 | kPa | 292.90 | Calculated Property |
| Pvap | 3.04 | kPa | 308.65 | Calculated Property |
| Pvap | 6.31 | kPa | 324.39 | Calculated Property |
| Pvap | 12.13 | kPa | 340.14 | Calculated Property |
| Pvap | 21.83 | kPa | 355.89 | Calculated Property |
| Pvap | 37.14 | kPa | 371.63 | Calculated Property |
| Pvap | 60.17 | kPa | 387.38 | Calculated Property |
| Pvap | 93.45 | kPa | 403.13 | Calculated Property |
| Pvap | 139.87 | kPa | 418.87 | Calculated Property |
| Pvap | 202.66 | kPa | 434.62 | Calculated Property |
| Pvap | [2.07e-08; 2599.72] | kPa | [152.06; 592.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.14194e+01 | |||
| Coefficient B | -7.88184e+03 | |||
| Coefficient C | -1.14363e+01 | |||
| Coefficient D | 7.87343e-06 | |||
| Temperature range, min. | 152.06 | |||
| Temperature range, max. | 592.15 | |||
| Pvap | 2.07e-08 | kPa | 152.06 | Calculated Property |
| Pvap | 2.94e-04 | kPa | 200.96 | Calculated Property |
| Pvap | 0.06 | kPa | 249.86 | Calculated Property |
| Pvap | 1.75 | kPa | 298.76 | Calculated Property |
| Pvap | 16.18 | kPa | 347.66 | Calculated Property |
| Pvap | 78.31 | kPa | 396.55 | Calculated Property |
| Pvap | 253.87 | kPa | 445.45 | Calculated Property |
| Pvap | 637.60 | kPa | 494.35 | Calculated Property |
| Pvap | 1357.77 | kPa | 543.25 | Calculated Property |
| Pvap | 2599.72 | kPa | 592.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 2,2,3,4-tetramethyl-.
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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