- InChI
- InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3
- InChI Key
- RNTWWGNZUXGTAX-UHFFFAOYSA-N
- Formula
- C8H18
- SMILES
- CCC(C)C(C)CC
- Molecular Weight1
- 114.23
- CAS
- 583-48-2
- Other Names
-
- 3,4-dimethylhexane
- C2H5CH(CH3)CH(CH3)C2H5
- 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).
- 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.
- 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).
- 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 | [0.3380; 0.3384] |
|
|
| ω | 0.3380 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3384 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.3380 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.3380 | KDB | |
| AP | 341.150 | K | KDB |
| ΔcH°liquid | [-5468.70; -5437.90] | kJ/mol |
|
| ΔcH°liquid | -5468.70 ± 1.50 | kJ/mol | NIST |
| ΔcH°liquid | -5437.90 | kJ/mol | NIST |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | [16.74; 17.33] | kJ/mol |
|
| ΔfG° | 16.74 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 17.33 | kJ/mol | KDB |
| Δc,grossH | 5468.66 | kJ/mol | KDB |
| Δc,netH | 5072.514 | kJ/mol | KDB |
| ΔfH°gas | [-213.10; -213.00] | kJ/mol |
|
| ΔfH°gas | -213.01 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -213.10 | kJ/mol | KDB |
| ΔfH°gas | -213.00 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | -252.00 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 9.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [33.00; 39.03] | kJ/mol |
|
| ΔvapH° | 39.03 | kJ/mol | NIST |
| ΔvapH° | 39.00 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 38.97 | kJ/mol | NIST |
| ΔvapH° | 33.00 | kJ/mol | NIST |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| Pc | [2690.00; 2692.40] | kPa |
|
| Pc | 2690.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Pc | 2690.18 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2692.40 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 2690.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 2690.00 | kPa | KDB |
| Pc | 2690.00 ± 40.00 | kPa | NIST |
| Pc | 2692.10 ± 40.53 | kPa | NIST |
| ρc | [244.45; 244.45] | kg/m3 |
|
| ρc | 244.45 ± 4.57 | kg/m3 | NIST |
| ρc | 244.45 ± 4.57 | kg/m3 | NIST |
| Inp | [764.00; 780.30] |
|
|
| Inp | 770.20 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 767.70 | NIST | |
| Inp | 769.60 | NIST | |
| Inp | Outlier 780.30 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 774.70 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 770.50 | NIST | |
| Inp | 770.50 | NIST | |
| Inp | 770.60 | NIST | |
| Inp | 770.50 | NIST | |
| Inp | 770.60 | NIST | |
| Inp | Outlier 780.10 | NIST | |
| Inp | Outlier 780.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.10 | NIST | |
| Inp | 770.60 | NIST | |
| Inp | 772.60 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 770.10 | NIST | |
| Inp | 772.90 | NIST | |
| Inp | 768.40 | NIST | |
| Inp | 769.30 | NIST | |
| Inp | 770.20 | NIST | |
| Inp | 771.20 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 770.50 | NIST | |
| Inp | 770.80 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 770.90 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 770.80 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 767.20 | NIST | |
| Inp | 770.20 | NIST | |
| Inp | 764.08 | NIST | |
| Inp | 767.60 | NIST | |
| Inp | 765.50 | NIST | |
| Inp | 768.08 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 766.04 | NIST | |
| Inp | 767.33 | NIST | |
| Inp | 768.12 | NIST | |
| Inp | 766.33 | NIST | |
| Inp | 767.70 | NIST | |
| Inp | 768.60 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 774.00 | NIST | |
| Tboil | [389.65; 391.90] | K |
|
| Tboil | 390.88 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 390.88 | K | KDB |
| Tboil | 390.90 | K | NIST |
| Tboil | 390.90 | K | NIST |
| Tboil | 391.15 ± 1.00 | K | NIST |
| Tboil | 390.91 ± 0.10 | K | NIST |
| Tboil | 390.88 ± 0.20 | K | NIST |
| Tboil | 390.20 ± 0.30 | K | NIST |
| Tboil | 391.15 ± 1.00 | K | NIST |
| Tboil | 390.60 ± 0.15 | K | NIST |
| Tboil | 391.15 ± 0.50 | K | NIST |
| Tboil | 390.87 ± 0.01 | K | NIST |
| Tboil | 390.78 ± 0.40 | K | NIST |
| Tboil | 390.89 ± 0.30 | K | NIST |
| Tboil | 390.55 ± 0.30 | K | NIST |
| Tboil | 390.55 ± 0.30 | K | NIST |
| Tboil | 390.87 ± 0.10 | K | NIST |
| Tboil | 391.15 ± 0.30 | K | NIST |
| Tboil | 391.00 ± 0.30 | K | NIST |
| Tboil | 391.05 ± 0.20 | K | NIST |
| Tboil | Outlier 389.65 ± 0.60 | K | NIST |
| Tboil | Outlier 391.90 ± 0.50 | K | NIST |
| Tboil | Outlier 389.65 ± 0.50 | K | NIST |
| Tc | [568.78; 568.85] | K |
|
| Tc | 568.80 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 568.80 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | Outlier 568.85 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 568.80 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 568.80 | K | KDB |
| Tc | 568.80 ± 0.50 | K | NIST |
| Tc | 568.80 | K | NIST |
| Tc | 568.78 ± 0.40 | K | NIST |
| Tfus | 176.55 | K | Relay (1.0) Calculated Property |
| UQi | 4.93 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.85 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.459; 0.466] | m3/kmol |
|
| Vc | 0.466 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Vc | 0.466 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.459 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.466 | m3/kmol | KDB |
| Vc | 0.466 | m3/kmol | NIST |
| Zc | [0.2650000; 0.2650590] |
|
|
| Zc | 0.2650000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value | |
| Zc | 0.2650000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2650590 | KDB | |
| Zra | 0.27 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.18; 300.41] | J/mol×K | [406.70; 522.60] |
|
| Cp,gas | 245.18 | J/mol×K | 406.70 | NIST |
| Cp,gas | 272.38 | J/mol×K | 462.30 | NIST |
| Cp,gas | 300.41 | J/mol×K | 522.60 | NIST |
| ΔvapH | [33.24; 41.30] | kJ/mol | [320.50; 391.90] |
|
| ΔvapH | 41.30 | kJ/mol | 320.50 | NIST |
| ΔvapH | 37.70 | kJ/mol | 352.50 | NIST |
| ΔvapH | 33.24 | kJ/mol | 390.90 | NIST |
| ΔvapH | 33.27 | kJ/mol | 391.90 | KDB |
| n0 | 1.40180 | 298.15 | KDB | |
| ρl | 719.00 | kg/m3 | 293.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [117.00; 516.12] | J/mol×K | [200.00; 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 | 3.40750e+01 | |||
| Coefficient B | -3.31340e+02 | |||
| Coefficient C | 5.97324e+00 | |||
| Coefficient D | 5.41080e-04 | |||
| Coefficient E | -1.71530e-07 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 117.00 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 211.28 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 283.47 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 340.19 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 386.31 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 424.44 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 455.91 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 481.44 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 501.43 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 516.12 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [144.49; 294.10] | J/mol×K | [138.78; 390.88] |
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 | -3.27870e+02 | |||
| Coefficient B | 4.72260e+01 | |||
| Coefficient C | 5.32124e+00 | |||
| Coefficient D | 4.14840e-03 | |||
| Coefficient E | -4.12800e-06 | |||
| Temperature range, min. | 138.78 | |||
| Temperature range, max. | 390.88 | |||
| Cp,liquid | 144.49 | J/mol×K | 138.78 | Calculated Property |
| Cp,liquid | 155.83 | J/mol×K | 166.79 | Calculated Property |
| Cp,liquid | 172.40 | J/mol×K | 194.80 | Calculated Property |
| Cp,liquid | 191.48 | J/mol×K | 222.81 | Calculated Property |
| Cp,liquid | 211.47 | J/mol×K | 250.82 | Calculated Property |
| Cp,liquid | 231.26 | J/mol×K | 278.84 | Calculated Property |
| Cp,liquid | 250.03 | J/mol×K | 306.85 | Calculated Property |
| Cp,liquid | 267.11 | J/mol×K | 334.86 | Calculated Property |
| Cp,liquid | 281.95 | J/mol×K | 362.87 | Calculated Property |
| Cp,liquid | 294.10 | J/mol×K | 390.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006437; 0.0002084] | Pa×s | [272.04; 400.00] |
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 | -4.17420e+01 | |||
| Coefficient B | 2.12510e+03 | |||
| Coefficient C | 4.81630e+00 | |||
| Coefficient D | -5.64660e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 400.00 | |||
| η | 0.0006437 | Pa×s | 272.04 | Calculated Property |
| η | 0.0005337 | Pa×s | 286.26 | Calculated Property |
| η | 0.0004526 | Pa×s | 300.48 | Calculated Property |
| η | 0.0003910 | Pa×s | 314.69 | Calculated Property |
| η | 0.0003431 | Pa×s | 328.91 | Calculated Property |
| η | 0.0003049 | Pa×s | 343.13 | Calculated Property |
| η | 0.0002740 | Pa×s | 357.35 | Calculated Property |
| η | 0.0002483 | Pa×s | 371.56 | Calculated Property |
| η | 0.0002268 | Pa×s | 385.78 | Calculated Property |
| η | 0.0002084 | Pa×s | 400.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [40.58; 13.23] | kJ/mol | [272.04; 553.18] |
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 | 5.47020e+01 | |||
| Coefficient B | 4.59180e-01 | |||
| Coefficient C | 1.85600e-01 | |||
| Coefficient D | -5.15130e-01 | |||
| Coefficient E | 2.63380e-01 | |||
| Critical temperature, Tc (K) | 5.68800e+02 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 553.18 | |||
| ΔvapH | 40.58 | kJ/mol | 272.04 | Calculated Property |
| ΔvapH | 38.78 | kJ/mol | 303.28 | Calculated Property |
| ΔvapH | 36.90 | kJ/mol | 334.52 | Calculated Property |
| ΔvapH | 34.93 | kJ/mol | 365.75 | Calculated Property |
| ΔvapH | 32.80 | kJ/mol | 396.99 | Calculated Property |
| ΔvapH | 30.44 | kJ/mol | 428.23 | Calculated Property |
| ΔvapH | 27.74 | kJ/mol | 459.47 | Calculated Property |
| ΔvapH | 24.48 | kJ/mol | 490.70 | Calculated Property |
| ΔvapH | 20.19 | kJ/mol | 521.94 | Calculated Property |
| ΔvapH | 13.23 | kJ/mol | 553.18 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [284.48; 417.54] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41933e+01 | |||
| Coefficient B | -3.27107e+03 | |||
| Coefficient C | -4.92520e+01 | |||
| Temperature range, min. | 284.48 | |||
| Temperature range, max. | 417.54 | |||
| Pvap | 1.33 | kPa | 284.48 | Calculated Property |
| Pvap | 3.03 | kPa | 299.26 | Calculated Property |
| Pvap | 6.30 | kPa | 314.05 | Calculated Property |
| Pvap | 12.10 | kPa | 328.83 | Calculated Property |
| Pvap | 21.78 | kPa | 343.62 | Calculated Property |
| Pvap | 37.06 | kPa | 358.40 | Calculated Property |
| Pvap | 60.06 | kPa | 373.19 | Calculated Property |
| Pvap | 93.33 | kPa | 387.97 | Calculated Property |
| Pvap | 139.77 | kPa | 402.76 | Calculated Property |
| Pvap | 202.65 | kPa | 417.54 | Calculated Property |
| Pvap | [0.61; 2685.29] | kPa | [272.04; 568.80] |
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 | 8.67785e+01 | |||
| Coefficient B | -7.52151e+03 | |||
| Coefficient C | -1.07345e+01 | |||
| Coefficient D | 7.52569e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 568.80 | |||
| Pvap | 0.61 | kPa | 272.04 | Calculated Property |
| Pvap | 4.11 | kPa | 305.01 | Calculated Property |
| Pvap | 17.77 | kPa | 337.99 | Calculated Property |
| Pvap | 56.39 | kPa | 370.96 | Calculated Property |
| Pvap | 143.40 | kPa | 403.93 | Calculated Property |
| Pvap | 310.21 | kPa | 436.91 | Calculated Property |
| Pvap | 595.45 | kPa | 469.88 | Calculated Property |
| Pvap | 1045.56 | kPa | 502.85 | Calculated Property |
| Pvap | 1717.70 | kPa | 535.83 | Calculated Property |
| Pvap | 2685.29 | kPa | 568.80 | Calculated Property |
| Pvap | [0.12; 2683.23] | kPa | [250.00; 568.80] |
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 | 8.76065e+01 | |||
| Coefficient B | -7.55662e+03 | |||
| Coefficient C | -1.08609e+01 | |||
| Coefficient D | 7.63359e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 568.80 | |||
| Pvap | 0.12 | kPa | 250.00 | Calculated Property |
| Pvap | 1.41 | kPa | 285.42 | Calculated Property |
| Pvap | 8.69 | kPa | 320.84 | Calculated Property |
| Pvap | 34.81 | kPa | 356.27 | Calculated Property |
| Pvap | 103.62 | kPa | 391.69 | Calculated Property |
| Pvap | 250.10 | kPa | 427.11 | Calculated Property |
| Pvap | 519.07 | kPa | 462.53 | Calculated Property |
| Pvap | 965.34 | kPa | 497.96 | Calculated Property |
| Pvap | 1657.07 | kPa | 533.38 | Calculated Property |
| Pvap | 2683.23 | kPa | 568.80 | Calculated Property |
| Pvap | [0.13; 101.49] | kPa | [251.10; 390.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40415e+01 | |||
| Coefficient B | -3.18419e+03 | |||
| Coefficient C | -5.28310e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 251.10 | |||
| Temperature range, max. | 390.80 | |||
| Pvap | 0.13 | kPa | 251.10 | Calculated Property |
| Pvap | 0.43 | kPa | 266.62 | Calculated Property |
| Pvap | 1.17 | kPa | 282.14 | Calculated Property |
| Pvap | 2.82 | kPa | 297.67 | Calculated Property |
| Pvap | 6.12 | kPa | 313.19 | Calculated Property |
| Pvap | 12.18 | kPa | 328.71 | Calculated Property |
| Pvap | 22.52 | kPa | 344.23 | Calculated Property |
| Pvap | 39.13 | kPa | 359.76 | Calculated Property |
| Pvap | 64.48 | kPa | 375.28 | Calculated Property |
| Pvap | 101.49 | kPa | 390.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [734.73; 245.34] | kg/m3 | [272.04; 568.78] |
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 | 5.19043e+01 | |||
| Coefficient B | 2.40110e-01 | |||
| Coefficient C | 5.68800e+02 | |||
| Coefficient D | 2.36180e-01 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 568.78 | |||
| ρl | 734.73 | kg/m3 | 272.04 | Calculated Property |
| ρl | 710.48 | kg/m3 | 305.01 | Calculated Property |
| ρl | 684.72 | kg/m3 | 337.98 | Calculated Property |
| ρl | 657.07 | kg/m3 | 370.95 | Calculated Property |
| ρl | 627.00 | kg/m3 | 403.92 | Calculated Property |
| ρl | 593.64 | kg/m3 | 436.90 | Calculated Property |
| ρl | 555.54 | kg/m3 | 469.87 | Calculated Property |
| ρl | 509.67 | kg/m3 | 502.84 | Calculated Property |
| ρl | 447.77 | kg/m3 | 535.81 | Calculated Property |
| ρl | 245.34 | kg/m3 | 568.78 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.02; 5.75e-04] | N/m | [272.04; 553.18] |
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 | -6.40520e-02 | |||
| Coefficient B | -5.28140e+01 | |||
| Coefficient C | -1.68100e+00 | |||
| Coefficient D | -2.35740e-03 | |||
| Coefficient E | 1.11570e-06 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 553.18 | |||
| γ | 0.02 | N/m | 272.04 | Calculated Property |
| γ | 0.02 | N/m | 303.28 | Calculated Property |
| γ | 0.02 | N/m | 334.52 | Calculated Property |
| γ | 0.01 | N/m | 365.75 | Calculated Property |
| γ | 0.01 | N/m | 396.99 | Calculated Property |
| γ | 0.01 | N/m | 428.23 | Calculated Property |
| γ | 0.01 | N/m | 459.47 | Calculated Property |
| γ | 0.00 | N/m | 490.70 | Calculated Property |
| γ | 0.00 | N/m | 521.94 | Calculated Property |
| γ | 5.75e-04 | N/m | 553.18 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.10] | W/m×K | [152.00; 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 | 2.08070e-05 | |||
| Coefficient B | 1.21330e+00 | |||
| Coefficient C | -2.00760e+02 | |||
| Coefficient D | 1.52640e+05 | |||
| Temperature range, min. | 152.00 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 152.00 | Calculated Property |
| λgas | 0.01 | W/m×K | 246.22 | Calculated Property |
| λgas | 0.01 | W/m×K | 340.44 | Calculated Property |
| λgas | 0.02 | W/m×K | 434.67 | Calculated Property |
| λgas | 0.04 | W/m×K | 528.89 | Calculated Property |
| λgas | 0.05 | W/m×K | 623.11 | Calculated Property |
| λgas | 0.06 | W/m×K | 717.33 | Calculated Property |
| λgas | 0.07 | W/m×K | 811.56 | Calculated Property |
| λgas | 0.08 | W/m×K | 905.78 | Calculated Property |
| λgas | 0.10 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.11; 0.09] | W/m×K | [272.04; 390.88] |
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 | -4.00200e-04 | |||
| Coefficient B | -1.44470e+02 | |||
| Coefficient C | -5.72470e-01 | |||
| Coefficient D | -4.27450e-03 | |||
| Coefficient E | 1.08360e-06 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 390.88 | |||
| λliquid | 0.11 | W/m×K | 272.04 | Calculated Property |
| λliquid | 0.11 | W/m×K | 285.24 | Calculated Property |
| λliquid | 0.11 | W/m×K | 298.45 | Calculated Property |
| λliquid | 0.10 | W/m×K | 311.65 | Calculated Property |
| λliquid | 0.10 | W/m×K | 324.86 | Calculated Property |
| λliquid | 0.10 | W/m×K | 338.06 | Calculated Property |
| λliquid | 0.09 | W/m×K | 351.27 | Calculated Property |
| λliquid | 0.09 | W/m×K | 364.47 | Calculated Property |
| λliquid | 0.09 | W/m×K | 377.68 | Calculated Property |
| λliquid | 0.09 | W/m×K | 390.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3,4-dimethyl-.
Sources
- KDB Vapor Pressure Data
- 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
- Crippen Method
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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