- InChI
- InChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3
- InChI Key
- HXQDUXXBVMMIKL-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CC(C)(C)CCC(C)(C)C
- Molecular Weight1
- 142.28
- CAS
- 1071-81-4
- Other Names
-
- 2,2,5,5-Tetramethylhexane
- Bineopentyl
- ω : Acentric Factor.
- AP : Aniline Point (K).
- 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).
- 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).
- n0 : Refractive Index.
- 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 | 0.3750 | KDB | |
| AP | 356.150 | K | KDB |
| ΔfG° | 39.00 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6749.80 | kJ/mol | KDB |
| Δc,netH | 6265.708 | kJ/mol | KDB |
| ΔfH°gas | -285.00 | kJ/mol | NIST |
| ΔfusH° | 6.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.50 | kJ/mol | NIST |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | [2186.00; 2190.00] | kPa |
|
| Pc | 2190.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Pc | 2190.00 | kPa | KDB |
| Pc | 2190.00 ± 40.00 | kPa | NIST |
| Pc | 2186.00 ± 10.00 | kPa | NIST |
| Inp | [820.00; 870.00] |
|
|
| Inp | 820.00 | NIST | |
| Inp | 820.20 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Tboil | [409.65; 410.70] | K |
|
| Tboil | 410.63 | K | KDB |
| Tboil | 410.70 | K | NIST |
| Tboil | 409.65 ± 1.50 | K | NIST |
| Tboil | 410.60 ± 0.05 | K | NIST |
| Tc | [581.40; 581.45] | K |
|
| Tc | 581.40 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 581.40 | K | KDB |
| Tc | 581.40 ± 0.50 | K | NIST |
| Tc | 581.45 ± 0.10 | K | NIST |
| Tfus | [241.15; 261.55] | K |
|
| Tfus | 260.35 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 260.50 | K | KDB |
| Tfus | Outlier 241.15 ± 2.00 | K | NIST |
| Tfus | 260.54 ± 0.07 | K | NIST |
| Tfus | 260.54 ± 0.05 | K | NIST |
| Tfus | 260.56 ± 0.03 | K | NIST |
| Tfus | 260.51 ± 0.05 | K | NIST |
| Tfus | 260.00 ± 2.00 | K | NIST |
| Tfus | 261.55 ± 0.60 | K | NIST |
| Vc | 0.574 | m3/kmol | KDB |
| Zc | 0.2598160 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 35.27 | kJ/mol | 410.60 | KDB |
| n0 | 1.40316 | 298.15 | KDB | |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.70; 538.17] | 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 | -5.51480e+01 | |||
| Coefficient B | 1.20552e+00 | |||
| Coefficient C | -8.63800e-04 | |||
| Coefficient D | 2.51600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 371.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 409.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 496.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 518.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 538.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033767; 0.0003085] | Pa×s | [260.57; 406.99] |
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 | -1.23422e+01 | |||
| Coefficient B | 1.73312e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 260.57 | |||
| Temperature range, max. | 406.99 | |||
| η | 0.0033767 | Pa×s | 260.57 | Calculated Property |
| η | 0.0022842 | Pa×s | 276.84 | Calculated Property |
| η | 0.0016137 | Pa×s | 293.11 | Calculated Property |
| η | 0.0011825 | Pa×s | 309.38 | Calculated Property |
| η | 0.0008938 | Pa×s | 325.64 | Calculated Property |
| η | 0.0006938 | Pa×s | 341.91 | Calculated Property |
| η | 0.0005511 | Pa×s | 358.18 | Calculated Property |
| η | 0.0004467 | Pa×s | 374.45 | Calculated Property |
| η | 0.0003684 | Pa×s | 390.72 | Calculated Property |
| η | 0.0003085 | Pa×s | 406.99 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [300.87; 438.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39708e+01 | |||
| Coefficient B | -3.24272e+03 | |||
| Coefficient C | -6.38860e+01 | |||
| Temperature range, min. | 300.87 | |||
| Temperature range, max. | 438.36 | |||
| Pvap | 1.33 | kPa | 300.87 | Calculated Property |
| Pvap | 3.05 | kPa | 316.15 | Calculated Property |
| Pvap | 6.36 | kPa | 331.42 | Calculated Property |
| Pvap | 12.24 | kPa | 346.70 | Calculated Property |
| Pvap | 22.03 | kPa | 361.98 | Calculated Property |
| Pvap | 37.44 | kPa | 377.25 | Calculated Property |
| Pvap | 60.57 | kPa | 392.53 | Calculated Property |
| Pvap | 93.89 | kPa | 407.81 | Calculated Property |
| Pvap | 140.20 | kPa | 423.08 | Calculated Property |
| Pvap | 202.63 | kPa | 438.36 | Calculated Property |
| Pvap | [1.30; 2185.60] | kPa | [300.00; 581.40] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 9.62464e+01 | |||
| Coefficient B | -8.41611e+03 | |||
| Coefficient C | -1.20246e+01 | |||
| Coefficient D | 7.28060e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 300.00 | |||
| Temperature range, max. | 581.40 | |||
| Pvap | 1.30 | kPa | 300.00 | Calculated Property |
| Pvap | 6.43 | kPa | 331.27 | Calculated Property |
| Pvap | 22.78 | kPa | 362.53 | Calculated Property |
| Pvap | 63.21 | kPa | 393.80 | Calculated Property |
| Pvap | 146.38 | kPa | 425.07 | Calculated Property |
| Pvap | 295.89 | kPa | 456.33 | Calculated Property |
| Pvap | 539.47 | kPa | 487.60 | Calculated Property |
| Pvap | 909.09 | kPa | 518.87 | Calculated Property |
| Pvap | 1442.38 | kPa | 550.13 | Calculated Property |
| Pvap | 2185.60 | kPa | 581.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,2,5,5-tetramethyl-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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