- InChI
- InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3
- InChI Key
- HHOSMYBYIHNXNO-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CC(C)CCC(C)(C)C
- Molecular Weight1
- 128.26
- CAS
- 3522-94-9
- Other Names
-
- 2,2,5-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).
- 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Ptriple : Triple Point 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).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- 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 | [0.3570; 0.3571] |
|
|
| ω | 0.3570 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3571 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.3571 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.3570 | KDB | |
| AP | 355.850 | K | KDB |
| ΔcH°liquid | -6106.55 ± 0.84 | kJ/mol | NIST |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | [13.44; 13.80] | kJ/mol |
|
| ΔfG° | 13.80 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 13.44 | kJ/mol | KDB |
| Δc,grossH | 6106.55 | kJ/mol | KDB |
| Δc,netH | 5666.434 | kJ/mol | KDB |
| ΔfH°gas | [-254.20; -253.10] | kJ/mol |
|
| ΔfH°gas | -253.30 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -254.20 | kJ/mol | KDB |
| ΔfH°gas | -253.10 | kJ/mol | NIST |
| ΔfH°liquid | -293.30 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.17; 40.21] | kJ/mol |
|
| ΔvapH° | 40.21 | kJ/mol | NIST |
| ΔvapH° | 40.20 | kJ/mol | NIST |
| ΔvapH° | 40.20 | kJ/mol | NIST |
| ΔvapH° | 40.17 | kJ/mol | NIST |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | [-5.05; -5.05] |
|
|
| log10WS | -5.05 | Aq. Solubility Prediction | |
| log10WS | -5.05 | Estimated Solubility | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | [2330.00; 2330.47] | kPa |
|
| Pc | 2330.47 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2330.43 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 2330.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 2330.00 | kPa | KDB |
| Ptriple | 9.69e-07 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [766.00; 797.06] |
|
|
| Inp | 791.00 | NIST | |
| Inp | 787.50 | NIST | |
| Inp | Outlier 792.50 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 777.10 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 785.10 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.80 | NIST | |
| Inp | 785.30 | NIST | |
| Inp | 785.50 | NIST | |
| Inp | 786.10 | NIST | |
| Inp | 786.70 | NIST | |
| Inp | 787.20 | NIST | |
| Inp | 784.70 | NIST | |
| Inp | 784.40 | NIST | |
| Inp | 784.30 | NIST | |
| Inp | 784.10 | NIST | |
| Inp | 783.90 | NIST | |
| Inp | 783.60 | NIST | |
| Inp | 777.40 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 777.30 | NIST | |
| Inp | 774.90 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 776.70 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 776.50 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | Outlier 766.00 | NIST | |
| Inp | 782.90 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 787.10 | NIST | |
| Inp | 780.10 | NIST | |
| Inp | 785.50 | NIST | |
| Inp | 782.21 | NIST | |
| Inp | 783.56 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 786.60 | NIST | |
| Inp | 783.30 | NIST | |
| Inp | 784.80 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | Outlier 797.06 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | Outlier 795.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 783.56 | NIST | |
| Inp | 784.80 | NIST | |
| Tboil | [394.65; 397.30] | K |
|
| Tboil | 397.24 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 397.24 | K | KDB |
| Tboil | 397.30 | K | NIST |
| Tboil | 397.20 | K | NIST |
| Tboil | Outlier 394.65 ± 1.50 | K | NIST |
| Tboil | 397.25 ± 0.40 | K | NIST |
| Tboil | 396.15 ± 2.00 | K | NIST |
| Tboil | 395.65 ± 2.00 | K | NIST |
| Tboil | 395.65 ± 3.00 | K | NIST |
| Tboil | 397.23 ± 0.03 | K | NIST |
| Tboil | 396.40 ± 0.60 | K | NIST |
| Tboil | 397.25 ± 0.50 | K | NIST |
| Tboil | 397.24 ± 0.10 | K | NIST |
| Tboil | 397.21 ± 0.20 | K | NIST |
| Tboil | 397.21 ± 0.20 | K | NIST |
| Tboil | 397.15 ± 0.20 | K | NIST |
| Tboil | 397.24 ± 0.20 | K | NIST |
| Tboil | 396.15 ± 1.00 | K | NIST |
| Tboil | 396.15 ± 1.00 | K | NIST |
| Tboil | 397.24 ± 0.40 | K | NIST |
| Tboil | 395.15 ± 1.50 | K | NIST |
| Tc | [568.04; 569.90] | K |
|
| Tc | 569.80 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 569.80 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 568.04 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 568.05 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 569.80 | K | KDB |
| Tc | 569.80 ± 2.00 | K | NIST |
| Tc | 569.90 ± 2.00 | K | NIST |
| Tfus | [166.80; 167.39] | K |
|
| Tfus | 167.30 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 167.39 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 167.39 | K | KDB |
| Tfus | 167.30 | K | Aq. Solubility Prediction |
| Tfus | 167.26 ± 0.10 | K | NIST |
| Tfus | 167.31 ± 0.02 | K | NIST |
| Tfus | 167.37 ± 0.01 | K | NIST |
| Tfus | 167.08 ± 0.30 | K | NIST |
| Tfus | 167.08 ± 0.20 | K | NIST |
| Tfus | 167.26 ± 0.30 | K | NIST |
| Tfus | Outlier 166.80 ± 0.50 | K | NIST |
| Tfus | 167.15 ± 2.00 | K | NIST |
| Ttriple | 167.39 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 5.55 | ChemSep v8.3 pure component data Compiled value | |
| URi | 6.52 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.519; 0.543] | m3/kmol |
|
| Vc | 0.543 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.519 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.519 | m3/kmol | KDB |
| Zc | [0.2550000; 0.2552490] |
|
|
| Zc | 0.2550000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2552490 | KDB | |
| Zra | 0.26 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [33.65; 41.10] | kJ/mol | [270.50; 397.20] |
|
| ΔvapH | 41.10 | kJ/mol | 270.50 | NIST |
| ΔvapH | 40.10 | kJ/mol | 343.50 | NIST |
| ΔvapH | 38.50 | kJ/mol | 358.50 | NIST |
| ΔvapH | 33.77 | kJ/mol | 397.20 | KDB |
| ΔvapH | 33.65 | kJ/mol | 397.20 | NIST |
| n0 | 1.39728 | 298.15 | KDB | |
| ρl | 717.00 | kg/m3 | 289.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.90; 594.14] | J/mol×K | [150.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.02010e+02 | |||
| Coefficient B | -5.31680e+02 | |||
| Coefficient C | 6.40424e+00 | |||
| Coefficient D | 1.71050e-04 | |||
| Coefficient E | -4.78370e-08 | |||
| Temperature range, min. | 150.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 119.90 | J/mol×K | 150.00 | Calculated Property |
| Cp,gas | 209.67 | J/mol×K | 300.00 | Calculated Property |
| Cp,gas | 300.36 | J/mol×K | 450.00 | Calculated Property |
| Cp,gas | 373.39 | J/mol×K | 600.00 | Calculated Property |
| Cp,gas | 431.23 | J/mol×K | 750.00 | Calculated Property |
| Cp,gas | 477.67 | J/mol×K | 900.00 | Calculated Property |
| Cp,gas | 515.55 | J/mol×K | 1050.00 | Calculated Property |
| Cp,gas | 546.78 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | 572.67 | J/mol×K | 1350.00 | Calculated Property |
| Cp,gas | 594.14 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [212.70; 335.35] | J/mol×K | [167.39; 397.24] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 8.45660e+01 | |||
| Coefficient B | 2.33860e+02 | |||
| Coefficient C | 1.55224e+00 | |||
| Coefficient D | 1.34520e-02 | |||
| Coefficient E | -1.24210e-05 | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 397.24 | |||
| Cp,liquid | 212.70 | J/mol×K | 167.39 | Calculated Property |
| Cp,liquid | 218.50 | J/mol×K | 192.93 | Calculated Property |
| Cp,liquid | 228.41 | J/mol×K | 218.47 | Calculated Property |
| Cp,liquid | 241.14 | J/mol×K | 244.01 | Calculated Property |
| Cp,liquid | 255.85 | J/mol×K | 269.55 | Calculated Property |
| Cp,liquid | 271.86 | J/mol×K | 295.08 | Calculated Property |
| Cp,liquid | 288.50 | J/mol×K | 320.62 | Calculated Property |
| Cp,liquid | 305.09 | J/mol×K | 346.16 | Calculated Property |
| Cp,liquid | 320.94 | J/mol×K | 371.70 | Calculated Property |
| Cp,liquid | 335.35 | J/mol×K | 397.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046374; 0.0001124] | Pa×s | [167.39; 450.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.20840e+01 | |||
| Coefficient B | 1.01170e+03 | |||
| Coefficient C | 1.31860e-01 | |||
| Coefficient D | -3.12000e-07 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 450.00 | |||
| η | 0.0046374 | Pa×s | 167.39 | Calculated Property |
| η | 0.0018194 | Pa×s | 198.79 | Calculated Property |
| η | 0.0009226 | Pa×s | 230.19 | Calculated Property |
| η | 0.0005510 | Pa×s | 261.59 | Calculated Property |
| η | 0.0003675 | Pa×s | 292.99 | Calculated Property |
| η | 0.0002650 | Pa×s | 324.40 | Calculated Property |
| η | 0.0002024 | Pa×s | 355.80 | Calculated Property |
| η | 0.0001613 | Pa×s | 387.20 | Calculated Property |
| η | 0.0001329 | Pa×s | 418.60 | Calculated Property |
| η | 0.0001124 | Pa×s | 450.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [52.00; 13.76] | kJ/mol | [167.39; 548.62] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 8.03980e+01 | |||
| Coefficient B | 1.70241e+00 | |||
| Coefficient C | -1.57491e+00 | |||
| Coefficient D | 5.69160e-03 | |||
| Coefficient E | 3.73292e-01 | |||
| Critical temperature, Tc (K) | 5.68050e+02 | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 548.62 | |||
| ΔvapH | 52.00 | kJ/mol | 167.39 | Calculated Property |
| ΔvapH | 47.53 | kJ/mol | 209.75 | Calculated Property |
| ΔvapH | 43.75 | kJ/mol | 252.11 | Calculated Property |
| ΔvapH | 40.47 | kJ/mol | 294.47 | Calculated Property |
| ΔvapH | 37.50 | kJ/mol | 336.83 | Calculated Property |
| ΔvapH | 34.64 | kJ/mol | 379.18 | Calculated Property |
| ΔvapH | 31.59 | kJ/mol | 421.54 | Calculated Property |
| ΔvapH | 27.93 | kJ/mol | 463.90 | Calculated Property |
| ΔvapH | 22.82 | kJ/mol | 506.26 | Calculated Property |
| ΔvapH | 13.76 | kJ/mol | 548.62 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [287.54; 424.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42444e+01 | |||
| Coefficient B | -3.40325e+03 | |||
| Coefficient C | -4.36950e+01 | |||
| Temperature range, min. | 287.54 | |||
| Temperature range, max. | 424.67 | |||
| Pvap | 1.33 | kPa | 287.54 | Calculated Property |
| Pvap | 3.03 | kPa | 302.78 | Calculated Property |
| Pvap | 6.29 | kPa | 318.01 | Calculated Property |
| Pvap | 12.07 | kPa | 333.25 | Calculated Property |
| Pvap | 21.73 | kPa | 348.49 | Calculated Property |
| Pvap | 36.97 | kPa | 363.72 | Calculated Property |
| Pvap | 59.95 | kPa | 378.96 | Calculated Property |
| Pvap | 93.20 | kPa | 394.20 | Calculated Property |
| Pvap | 139.67 | kPa | 409.43 | Calculated Property |
| Pvap | 202.64 | kPa | 424.67 | Calculated Property |
| Pvap | [8.29e-07; 2330.00] | kPa | [167.39; 546.41] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.26932e+02 | |||
| Coefficient B | -9.02358e+03 | |||
| Coefficient C | -1.70891e+01 | |||
| Coefficient D | 1.69305e-05 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped where the equation exceeds Pc; ChemSep gives it to 569.8 K. | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 546.41 | |||
| Pvap | 8.29e-07 | kPa | 167.39 | Calculated Property |
| Pvap | 1.19e-03 | kPa | 209.50 | Calculated Property |
| Pvap | 0.10 | kPa | 251.62 | Calculated Property |
| Pvap | 1.75 | kPa | 293.73 | Calculated Property |
| Pvap | 13.09 | kPa | 335.84 | Calculated Property |
| Pvap | 57.74 | kPa | 377.95 | Calculated Property |
| Pvap | 183.65 | kPa | 420.07 | Calculated Property |
| Pvap | 476.62 | kPa | 462.18 | Calculated Property |
| Pvap | 1092.27 | kPa | 504.29 | Calculated Property |
| Pvap | 2330.00 | kPa | 546.41 | Calculated Property |
| Pvap | [1.66e-06; 2251.57] | kPa | [167.39; 568.05] |
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 | 7.84648e+01 | |||
| Coefficient B | -7.31890e+03 | |||
| Coefficient C | -9.41504e+00 | |||
| Coefficient D | 5.73647e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 568.05 | |||
| Pvap | 1.66e-06 | kPa | 167.39 | Calculated Property |
| Pvap | 1.94e-03 | kPa | 211.91 | Calculated Property |
| Pvap | 0.15 | kPa | 256.43 | Calculated Property |
| Pvap | 2.54 | kPa | 300.94 | Calculated Property |
| Pvap | 18.80 | kPa | 345.46 | Calculated Property |
| Pvap | 81.35 | kPa | 389.98 | Calculated Property |
| Pvap | 248.25 | kPa | 434.50 | Calculated Property |
| Pvap | 598.75 | kPa | 479.01 | Calculated Property |
| Pvap | 1228.32 | kPa | 523.53 | Calculated Property |
| Pvap | 2251.57 | kPa | 568.05 | Calculated Property |
| Pvap | [0.03; 2.87] | kPa | [238.00; 303.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43946e+01 | |||
| Coefficient B | -3.38885e+03 | |||
| Coefficient C | -4.89480e+01 | |||
| Reference | Osborn and Douslin, 1974 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 238.00 | |||
| Temperature range, max. | 303.00 | |||
| Pvap | 0.03 | kPa | 238.00 | Calculated Property |
| Pvap | 0.06 | kPa | 245.22 | Calculated Property |
| Pvap | 0.10 | kPa | 252.44 | Calculated Property |
| Pvap | 0.18 | kPa | 259.67 | Calculated Property |
| Pvap | 0.32 | kPa | 266.89 | Calculated Property |
| Pvap | 0.52 | kPa | 274.11 | Calculated Property |
| Pvap | 0.83 | kPa | 281.33 | Calculated Property |
| Pvap | 1.29 | kPa | 288.56 | Calculated Property |
| Pvap | 1.94 | kPa | 295.78 | Calculated Property |
| Pvap | 2.87 | kPa | 303.00 | Calculated Property |
| Pvap | [6.40; 104.02] | kPa | [319.29; 398.20] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37471e+01 | |||
| Coefficient B | -3.06278e+03 | |||
| Coefficient C | -6.17220e+01 | |||
| Reference | Forziati, Norris, et al., 1949, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 319.29 | |||
| Temperature range, max. | 398.20 | |||
| Pvap | 6.40 | kPa | 319.29 | Calculated Property |
| Pvap | 9.46 | kPa | 328.06 | Calculated Property |
| Pvap | 13.65 | kPa | 336.83 | Calculated Property |
| Pvap | 19.25 | kPa | 345.59 | Calculated Property |
| Pvap | 26.60 | kPa | 354.36 | Calculated Property |
| Pvap | 36.07 | kPa | 363.13 | Calculated Property |
| Pvap | 48.07 | kPa | 371.90 | Calculated Property |
| Pvap | 63.06 | kPa | 380.66 | Calculated Property |
| Pvap | 81.54 | kPa | 389.43 | Calculated Property |
| Pvap | 104.02 | kPa | 398.20 | Calculated Property |
| Pvap | [6.40; 104.02] | kPa | [319.29; 398.20] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37471e+01 | |||
| Coefficient B | -3.06278e+03 | |||
| Coefficient C | -6.17220e+01 | |||
| Reference | Forziati, Norris, et al., 1949 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 319.29 | |||
| Temperature range, max. | 398.20 | |||
| Pvap | 6.40 | kPa | 319.29 | Calculated Property |
| Pvap | 9.46 | kPa | 328.06 | Calculated Property |
| Pvap | 13.65 | kPa | 336.83 | Calculated Property |
| Pvap | 19.25 | kPa | 345.59 | Calculated Property |
| Pvap | 26.60 | kPa | 354.36 | Calculated Property |
| Pvap | 36.07 | kPa | 363.13 | Calculated Property |
| Pvap | 48.07 | kPa | 371.90 | Calculated Property |
| Pvap | 63.06 | kPa | 380.66 | Calculated Property |
| Pvap | 81.54 | kPa | 389.43 | Calculated Property |
| Pvap | 104.02 | kPa | 398.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [800.01; 303.84] | kg/m3 | [167.39; 568.05] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 5.78187e+01 | |||
| Coefficient B | 2.52560e-01 | |||
| Coefficient C | 5.69810e+02 | |||
| Coefficient D | 2.73570e-01 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 569.8 K. | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 568.05 | |||
| ρl | 800.01 | kg/m3 | 167.39 | Calculated Property |
| ρl | 769.03 | kg/m3 | 211.91 | Calculated Property |
| ρl | 736.49 | kg/m3 | 256.43 | Calculated Property |
| ρl | 702.00 | kg/m3 | 300.94 | Calculated Property |
| ρl | 665.00 | kg/m3 | 345.46 | Calculated Property |
| ρl | 624.64 | kg/m3 | 389.98 | Calculated Property |
| ρl | 579.43 | kg/m3 | 434.50 | Calculated Property |
| ρl | 526.38 | kg/m3 | 479.01 | Calculated Property |
| ρl | 457.52 | kg/m3 | 523.53 | Calculated Property |
| ρl | 303.84 | kg/m3 | 568.05 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 7.66e-04] | N/m | [167.39; 548.62] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -1.02920e-02 | |||
| Coefficient B | 2.87870e+01 | |||
| Coefficient C | -3.24900e+00 | |||
| Coefficient D | 2.05410e-04 | |||
| Coefficient E | -4.72050e-06 | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 548.62 | |||
| γ | 0.03 | N/m | 167.39 | Calculated Property |
| γ | 0.03 | N/m | 209.75 | Calculated Property |
| γ | 0.02 | N/m | 252.11 | Calculated Property |
| γ | 0.02 | N/m | 294.47 | Calculated Property |
| γ | 0.02 | N/m | 336.83 | Calculated Property |
| γ | 0.01 | N/m | 379.18 | Calculated Property |
| γ | 0.01 | N/m | 421.54 | Calculated Property |
| γ | 0.01 | N/m | 463.90 | Calculated Property |
| γ | 0.00 | N/m | 506.26 | Calculated Property |
| γ | 7.66e-04 | N/m | 548.62 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.09] | W/m×K | [167.39; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 3.01760e-05 | |||
| Coefficient B | 1.16420e+00 | |||
| Coefficient C | -1.56950e+02 | |||
| Coefficient D | 1.61470e+05 | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 167.39 | Calculated Property |
| λgas | 0.01 | W/m×K | 259.90 | Calculated Property |
| λgas | 0.02 | W/m×K | 352.41 | Calculated Property |
| λgas | 0.02 | W/m×K | 444.93 | Calculated Property |
| λgas | 0.04 | W/m×K | 537.44 | Calculated Property |
| λgas | 0.05 | W/m×K | 629.95 | Calculated Property |
| λgas | 0.06 | W/m×K | 722.46 | Calculated Property |
| λgas | 0.07 | W/m×K | 814.98 | Calculated Property |
| λgas | 0.08 | W/m×K | 907.49 | Calculated Property |
| λgas | 0.09 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.13; 0.08] | W/m×K | [167.39; 397.24] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | -1.37210e-01 | |||
| Coefficient B | 5.66500e+01 | |||
| Coefficient C | -1.95420e+00 | |||
| Coefficient D | 2.45430e-03 | |||
| Coefficient E | -4.37020e-06 | |||
| Temperature range, min. | 167.39 | |||
| Temperature range, max. | 397.24 | |||
| λliquid | 0.13 | W/m×K | 167.39 | Calculated Property |
| λliquid | 0.12 | W/m×K | 192.93 | Calculated Property |
| λliquid | 0.12 | W/m×K | 218.47 | Calculated Property |
| λliquid | 0.11 | W/m×K | 244.01 | Calculated Property |
| λliquid | 0.11 | W/m×K | 269.55 | Calculated Property |
| λliquid | 0.10 | W/m×K | 295.08 | Calculated Property |
| λliquid | 0.10 | W/m×K | 320.62 | Calculated Property |
| λliquid | 0.09 | W/m×K | 346.16 | Calculated Property |
| λliquid | 0.09 | W/m×K | 371.70 | Calculated Property |
| λliquid | 0.08 | W/m×K | 397.24 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,2,5-trimethyl-.
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.
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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