- InChI
- InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3
- InChI Key
- SFRKSDZMZHIISH-UHFFFAOYSA-N
- Formula
- C8H18
- SMILES
- CCCC(CC)CC
- Molecular Weight1
- 114.23
- CAS
- 619-99-8
- Other Names
-
- 3-Ethylhexane
- 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 | [0.3584; 0.3620] |
|
|
| ω | 0.3584 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3605 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.3620 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.3610 | KDB | |
| AP | 341.850 | K | KDB |
| ΔcH°liquid | [-5470.12; -5262.00] | kJ/mol |
|
| ΔcH°liquid | -5470.12 ± 0.96 | kJ/mol | NIST |
| ΔcH°liquid | -5432.10 | kJ/mol | NIST |
| ΔcH°liquid | -5262.00 | kJ/mol | NIST |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | [16.86; 16.94] | kJ/mol |
|
| ΔfG° | 16.86 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 16.94 | kJ/mol | KDB |
| Δc,grossH | 5470.12 | kJ/mol | KDB |
| Δc,netH | 5073.979 | kJ/mol | KDB |
| ΔfH°gas | [-211.00; -210.87] | kJ/mol |
|
| ΔfH°gas | -210.87 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -211.00 | kJ/mol | KDB |
| ΔfH°gas | -210.90 ± 1.20 | kJ/mol | NIST |
| ΔfH°liquid | -250.50 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 12.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [33.00; 39.70] | kJ/mol |
|
| ΔvapH° | 39.69 | kJ/mol | NIST |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| ΔvapH° | 39.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 39.69 | kJ/mol | NIST |
| ΔvapH° | 33.00 | kJ/mol | NIST |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| Pc | [2607.90; 2610.13] | kPa |
|
| Pc | 2610.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Pc | 2610.13 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2608.29 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 2610.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 2610.00 | kPa | KDB |
| Pc | 2610.00 ± 40.00 | kPa | NIST |
| Pc | 2607.90 ± 40.53 | kPa | NIST |
| ρc | [251.30; 251.30] | kg/m3 |
|
| ρc | 251.30 ± 4.57 | kg/m3 | NIST |
| ρc | 251.30 ± 4.57 | kg/m3 | NIST |
| Inp | [763.00; 777.00] |
|
|
| Inp | 775.70 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 772.80 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 775.30 | NIST | |
| Inp | 775.30 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 776.90 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 772.20 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 773.40 | NIST | |
| Inp | 772.90 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 769.70 | NIST | |
| Inp | 770.10 | NIST | |
| Inp | 771.44 | NIST | |
| Inp | 773.69 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 774.01 | NIST | |
| Inp | 774.57 | NIST | |
| Inp | 774.94 | NIST | |
| Inp | 773.78 | NIST | |
| Inp | 774.37 | NIST | |
| Inp | 774.75 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | Outlier 765.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | Outlier 763.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 773.40 | NIST | |
| Inp | 775.70 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 775.30 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 772.20 | NIST | |
| Inp | 774.00 | NIST | |
| Tboil | [391.55; 391.97] | K |
|
| Tboil | 391.69 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 391.70 | K | KDB |
| Tboil | 391.70 | K | NIST |
| Tboil | 391.70 | K | NIST |
| Tboil | 391.68 ± 0.20 | K | NIST |
| Tboil | Outlier 391.97 ± 0.20 | K | NIST |
| Tboil | 391.55 ± 0.20 | K | NIST |
| Tboil | 391.69 ± 0.20 | K | NIST |
| Tboil | 391.80 ± 0.40 | K | NIST |
| Tboil | 391.85 ± 0.50 | K | NIST |
| Tboil | 391.65 ± 0.50 | K | NIST |
| Tboil | 391.70 ± 0.15 | K | NIST |
| Tboil | 391.90 ± 0.00 | K | NIST |
| Tboil | 391.68 ± 0.02 | K | NIST |
| Tboil | 391.68 ± 0.10 | K | NIST |
| Tboil | 391.85 ± 0.20 | K | NIST |
| Tboil | 391.85 ± 0.30 | K | NIST |
| Tc | [565.40; 565.50] | K |
|
| Tc | 565.50 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 565.50 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 565.49 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 565.40 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 565.50 | K | KDB |
| Tc | 565.50 ± 0.50 | K | NIST |
| Tc | 565.40 | K | NIST |
| Tc | 565.42 ± 0.40 | K | NIST |
| Tfus | 158.63 | 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 | [0.455; 0.461] | m3/kmol |
|
| Vc | 0.455 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Vc | 0.455 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.461 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.455 | m3/kmol | KDB |
| Vc | 0.455 | m3/kmol | NIST |
| Zc | [0.2520000; 0.2530000] |
|
|
| Zc | 0.2520000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value | |
| Zc | 0.2530000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2525710 | KDB | |
| Zra | 0.25 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.42; 298.74] | J/mol×K | [397.10; 522.70] |
|
| Cp,gas | 241.42 | J/mol×K | 397.10 | NIST |
| Cp,gas | 269.87 | J/mol×K | 462.70 | NIST |
| Cp,gas | 298.74 | J/mol×K | 522.70 | NIST |
| ΔvapH | [33.59; 42.40] | kJ/mol | [321.00; 391.70] |
|
| ΔvapH | 42.40 | kJ/mol | 321.00 | NIST |
| ΔvapH | 38.20 | kJ/mol | 353.50 | NIST |
| ΔvapH | 33.61 | kJ/mol | 391.70 | KDB |
| ΔvapH | 33.59 | kJ/mol | 391.70 | NIST |
| n0 | 1.39919 | 298.15 | KDB | |
| ρl | 718.00 | kg/m3 | 289.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.95; 506.55] | 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 | 1.15160e+02 | |||
| Coefficient B | -6.18280e+02 | |||
| Coefficient C | 6.37124e+00 | |||
| Coefficient D | 4.64000e-05 | |||
| Coefficient E | -2.62020e-08 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 141.95 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 213.57 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 283.00 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 339.66 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 384.66 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 420.47 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 449.21 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 472.43 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 491.27 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 506.55 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [178.07; 299.57] | J/mol×K | [166.11; 391.69] |
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 | 8.06280e+01 | |||
| Coefficient B | -6.49090e+01 | |||
| Coefficient C | 4.27824e+00 | |||
| Coefficient D | 4.83190e-03 | |||
| Coefficient E | -4.01720e-06 | |||
| Temperature range, min. | 166.11 | |||
| Temperature range, max. | 391.69 | |||
| Cp,liquid | 178.07 | J/mol×K | 166.11 | Calculated Property |
| Cp,liquid | 192.31 | J/mol×K | 191.17 | Calculated Property |
| Cp,liquid | 206.48 | J/mol×K | 216.24 | Calculated Property |
| Cp,liquid | 220.58 | J/mol×K | 241.30 | Calculated Property |
| Cp,liquid | 234.57 | J/mol×K | 266.37 | Calculated Property |
| Cp,liquid | 248.38 | J/mol×K | 291.43 | Calculated Property |
| Cp,liquid | 261.91 | J/mol×K | 316.50 | Calculated Property |
| Cp,liquid | 275.03 | J/mol×K | 341.56 | Calculated Property |
| Cp,liquid | 287.63 | J/mol×K | 366.63 | Calculated Property |
| Cp,liquid | 299.57 | J/mol×K | 391.69 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006035; 0.0001730] | 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 | -7.87420e+00 | |||
| Coefficient B | 8.97680e+02 | |||
| Coefficient C | -5.06600e-01 | |||
| Coefficient D | 2.07840e-08 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 400.00 | |||
| η | 0.0006035 | Pa×s | 272.04 | Calculated Property |
| η | 0.0004993 | Pa×s | 286.26 | Calculated Property |
| η | 0.0004201 | Pa×s | 300.48 | Calculated Property |
| η | 0.0003586 | Pa×s | 314.69 | Calculated Property |
| η | 0.0003100 | Pa×s | 328.91 | Calculated Property |
| η | 0.0002711 | Pa×s | 343.13 | Calculated Property |
| η | 0.0002393 | Pa×s | 357.35 | Calculated Property |
| η | 0.0002132 | Pa×s | 371.56 | Calculated Property |
| η | 0.0001914 | Pa×s | 385.78 | Calculated Property |
| η | 0.0001730 | Pa×s | 400.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [41.35; 13.22] | kJ/mol | [272.04; 550.05] |
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 | 5.47990e+01 | |||
| Coefficient B | 2.67370e-01 | |||
| Coefficient C | 8.18770e-01 | |||
| Coefficient D | -1.29040e+00 | |||
| Coefficient E | 5.99150e-01 | |||
| Critical temperature, Tc (K) | 5.65400e+02 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 550.05 | |||
| ΔvapH | 41.35 | kJ/mol | 272.04 | Calculated Property |
| ΔvapH | 39.46 | kJ/mol | 302.93 | Calculated Property |
| ΔvapH | 37.52 | kJ/mol | 333.82 | Calculated Property |
| ΔvapH | 35.49 | kJ/mol | 364.71 | Calculated Property |
| ΔvapH | 33.31 | kJ/mol | 395.60 | Calculated Property |
| ΔvapH | 30.91 | kJ/mol | 426.49 | Calculated Property |
| ΔvapH | 28.15 | kJ/mol | 457.38 | Calculated Property |
| ΔvapH | 24.80 | kJ/mol | 488.27 | Calculated Property |
| ΔvapH | 20.38 | kJ/mol | 519.16 | Calculated Property |
| ΔvapH | 13.22 | kJ/mol | 550.05 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [286.01; 418.13] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42298e+01 | |||
| Coefficient B | -3.26994e+03 | |||
| Coefficient C | -5.14790e+01 | |||
| Temperature range, min. | 286.01 | |||
| Temperature range, max. | 418.13 | |||
| Pvap | 1.33 | kPa | 286.01 | Calculated Property |
| Pvap | 3.03 | kPa | 300.69 | Calculated Property |
| Pvap | 6.29 | kPa | 315.37 | Calculated Property |
| Pvap | 12.08 | kPa | 330.05 | Calculated Property |
| Pvap | 21.74 | kPa | 344.73 | Calculated Property |
| Pvap | 36.99 | kPa | 359.41 | Calculated Property |
| Pvap | 59.98 | kPa | 374.09 | Calculated Property |
| Pvap | 93.23 | kPa | 388.77 | Calculated Property |
| Pvap | 139.70 | kPa | 403.45 | Calculated Property |
| Pvap | 202.64 | kPa | 418.13 | Calculated Property |
| Pvap | [0.55; 2599.33] | kPa | [272.04; 565.40] |
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 | 9.01882e+01 | |||
| Coefficient B | -7.73357e+03 | |||
| Coefficient C | -1.12258e+01 | |||
| Coefficient D | 7.81076e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 565.5 K. | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 565.40 | |||
| Pvap | 0.55 | kPa | 272.04 | Calculated Property |
| Pvap | 3.76 | kPa | 304.64 | Calculated Property |
| Pvap | 16.46 | kPa | 337.23 | Calculated Property |
| Pvap | 52.80 | kPa | 369.83 | Calculated Property |
| Pvap | 135.45 | kPa | 402.42 | Calculated Property |
| Pvap | 295.15 | kPa | 435.02 | Calculated Property |
| Pvap | 569.84 | kPa | 467.61 | Calculated Property |
| Pvap | 1005.29 | kPa | 500.21 | Calculated Property |
| Pvap | 1657.73 | kPa | 532.80 | Calculated Property |
| Pvap | 2599.33 | kPa | 565.40 | Calculated Property |
| Pvap | [0.11; 2592.05] | kPa | [250.00; 565.40] |
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 | 8.99778e+01 | |||
| Coefficient B | -7.73243e+03 | |||
| Coefficient C | -1.11883e+01 | |||
| Coefficient D | 7.70935e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 565.40 | |||
| Pvap | 0.11 | kPa | 250.00 | Calculated Property |
| Pvap | 1.26 | kPa | 285.04 | Calculated Property |
| Pvap | 7.92 | kPa | 320.09 | Calculated Property |
| Pvap | 32.26 | kPa | 355.13 | Calculated Property |
| Pvap | 97.30 | kPa | 390.18 | Calculated Property |
| Pvap | 237.23 | kPa | 425.22 | Calculated Property |
| Pvap | 496.10 | kPa | 460.27 | Calculated Property |
| Pvap | 927.58 | kPa | 495.31 | Calculated Property |
| Pvap | 1597.80 | kPa | 530.36 | Calculated Property |
| Pvap | 2592.05 | kPa | 565.40 | Calculated Property |
| Pvap | [0.13; 101.61] | kPa | [253.00; 391.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39076e+01 | |||
| Coefficient B | -3.08515e+03 | |||
| Coefficient C | -5.94790e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 253.00 | |||
| Temperature range, max. | 391.70 | |||
| Pvap | 0.13 | kPa | 253.00 | Calculated Property |
| Pvap | 0.42 | kPa | 268.41 | Calculated Property |
| Pvap | 1.17 | kPa | 283.82 | Calculated Property |
| Pvap | 2.83 | kPa | 299.23 | Calculated Property |
| Pvap | 6.15 | kPa | 314.64 | Calculated Property |
| Pvap | 12.25 | kPa | 330.06 | Calculated Property |
| Pvap | 22.64 | kPa | 345.47 | Calculated Property |
| Pvap | 39.31 | kPa | 360.88 | Calculated Property |
| Pvap | 64.68 | kPa | 376.29 | Calculated Property |
| Pvap | 101.61 | kPa | 391.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [727.09; 264.28] | kg/m3 | [272.04; 565.40] |
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 | 5.27804e+01 | |||
| Coefficient B | 2.44360e-01 | |||
| Coefficient C | 5.65510e+02 | |||
| Coefficient D | 2.27470e-01 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 565.5 K. | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 565.40 | |||
| ρl | 727.09 | kg/m3 | 272.04 | Calculated Property |
| ρl | 704.14 | kg/m3 | 304.64 | Calculated Property |
| ρl | 679.69 | kg/m3 | 337.23 | Calculated Property |
| ρl | 653.38 | kg/m3 | 369.83 | Calculated Property |
| ρl | 624.66 | kg/m3 | 402.42 | Calculated Property |
| ρl | 592.70 | kg/m3 | 435.02 | Calculated Property |
| ρl | 556.02 | kg/m3 | 467.61 | Calculated Property |
| ρl | 511.64 | kg/m3 | 500.21 | Calculated Property |
| ρl | 451.29 | kg/m3 | 532.80 | Calculated Property |
| ρl | 264.28 | kg/m3 | 565.40 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.02; 5.33e-04] | N/m | [272.04; 550.05] |
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 | -4.44660e-02 | |||
| Coefficient B | -8.10240e+01 | |||
| Coefficient C | -1.61530e+00 | |||
| Coefficient D | -3.25490e-03 | |||
| Coefficient E | 1.49340e-06 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 550.05 | |||
| γ | 0.02 | N/m | 272.04 | Calculated Property |
| γ | 0.02 | N/m | 302.93 | Calculated Property |
| γ | 0.02 | N/m | 333.82 | Calculated Property |
| γ | 0.01 | N/m | 364.71 | Calculated Property |
| γ | 0.01 | N/m | 395.60 | Calculated Property |
| γ | 0.01 | N/m | 426.49 | Calculated Property |
| γ | 0.01 | N/m | 457.38 | Calculated Property |
| γ | 0.00 | N/m | 488.27 | Calculated Property |
| γ | 0.00 | N/m | 519.16 | Calculated Property |
| γ | 5.33e-04 | N/m | 550.05 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.09] | 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 | 5.65880e-05 | |||
| Coefficient B | 1.07890e+00 | |||
| Coefficient C | -1.23050e+02 | |||
| Coefficient D | 1.73090e+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 | 0.09 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.11; 0.08] | W/m×K | [272.04; 391.69] |
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 | -1.63700e-03 | |||
| Coefficient B | -1.38280e+02 | |||
| Coefficient C | -6.27820e-01 | |||
| Coefficient D | -4.09630e-03 | |||
| Coefficient E | 8.97740e-07 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 391.69 | |||
| λliquid | 0.11 | W/m×K | 272.04 | Calculated Property |
| λliquid | 0.11 | W/m×K | 285.33 | Calculated Property |
| λliquid | 0.11 | W/m×K | 298.63 | Calculated Property |
| λliquid | 0.10 | W/m×K | 311.92 | Calculated Property |
| λliquid | 0.10 | W/m×K | 325.22 | Calculated Property |
| λliquid | 0.10 | W/m×K | 338.51 | Calculated Property |
| λliquid | 0.09 | W/m×K | 351.81 | Calculated Property |
| λliquid | 0.09 | W/m×K | 365.10 | Calculated Property |
| λliquid | 0.09 | W/m×K | 378.40 | Calculated Property |
| λliquid | 0.08 | W/m×K | 391.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3-ethyl-.
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
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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