- InChI
- InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
- InChI Key
- JXPOLSKBTUYKJB-UHFFFAOYSA-N
- Formula
- C8H18
- SMILES
- CCCC(C)C(C)C
- Molecular Weight1
- 114.23
- CAS
- 584-94-1
- Other Names
-
- 2,3-DimethyIhexane
- 2,3-Dimethylhexane
- 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.
- 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 | [0.3460; 0.3470] |
|
|
| ω | 0.3460 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3463 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.3470 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.3460 | KDB | |
| AP | 343.750 | K | KDB |
| ΔcH°liquid | -5467.90 ± 1.40 | kJ/mol | NIST |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | [15.02; 17.71] | kJ/mol |
|
| ΔfG° | 15.02 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 17.71 | kJ/mol | KDB |
| Δc,grossH | 5467.90 | kJ/mol | KDB |
| Δc,netH | 5071.762 | kJ/mol | KDB |
| ΔfH°gas | [-214.10; -213.89] | kJ/mol |
|
| ΔfH°gas | -213.89 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -214.10 | kJ/mol | KDB |
| ΔfH°gas | -213.90 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | -252.80 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 9.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [38.79; 38.83] | kJ/mol |
|
| ΔvapH° | 38.83 | kJ/mol | NIST |
| ΔvapH° | 38.80 | kJ/mol | NIST |
| ΔvapH° | 38.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 38.79 | kJ/mol | NIST |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| Pc | [2628.20; 2630.40] | kPa |
|
| Pc | 2630.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Pc | 2630.40 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2628.28 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 2630.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 2630.00 | kPa | KDB |
| Pc | 2630.00 ± 40.00 | kPa | NIST |
| Pc | 2628.20 ± 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 | [752.00; 774.00] |
|
|
| Inp | 758.60 | NIST | |
| Inp | 760.20 | NIST | |
| Inp | 765.60 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 761.40 | NIST | |
| Inp | 759.60 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 765.60 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 760.30 | NIST | |
| Inp | 762.20 | NIST | |
| Inp | 760.10 | NIST | |
| Inp | 761.50 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 759.70 | NIST | |
| Inp | 761.10 | NIST | |
| Inp | 759.60 | NIST | |
| Inp | 760.20 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.80 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 761.40 | NIST | |
| Inp | 761.40 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.20 | NIST | |
| Inp | 761.20 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 763.66 | NIST | |
| Inp | 765.12 | NIST | |
| Inp | Outlier 766.66 | NIST | |
| Inp | 761.34 | NIST | |
| Inp | 762.45 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 760.30 | NIST | |
| Inp | 760.40 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 759.50 | NIST | |
| Inp | 760.50 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | Outlier 754.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 757.90 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | Outlier 774.00 | NIST | |
| Inp | 761.10 | NIST | |
| Inp | 754.96 | NIST | |
| Inp | 755.35 | NIST | |
| Inp | 758.30 | NIST | |
| Inp | 757.90 | NIST | |
| Inp | Outlier 754.10 | NIST | |
| Inp | 754.50 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 760.50 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 760.10 | NIST | |
| Inp | 758.65 | NIST | |
| Inp | 759.59 | NIST | |
| Inp | 760.14 | NIST | |
| Inp | 758.63 | NIST | |
| Inp | 759.55 | NIST | |
| Inp | 760.10 | NIST | |
| Inp | Outlier 754.00 | NIST | |
| Inp | Outlier 769.99 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | Outlier 752.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | Outlier 769.99 | NIST | |
| Inp | Outlier 774.00 | NIST | |
| Inp | 757.90 | NIST | |
| Inp | 760.50 | NIST | |
| Inp | 760.14 | NIST | |
| Inp | 758.60 | NIST | |
| Inp | 761.40 | NIST | |
| Inp | 760.30 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.10 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 761.20 | NIST | |
| Inp | 763.66 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 755.00 | NIST | |
| Tboil | [387.05; 389.65] | K |
|
| Tboil | 388.76 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 388.77 | K | KDB |
| Tboil | 388.80 | K | NIST |
| Tboil | 388.80 | K | NIST |
| Tboil | 388.79 ± 0.10 | K | NIST |
| Tboil | 388.76 ± 0.20 | K | NIST |
| Tboil | 388.75 ± 0.30 | K | NIST |
| Tboil | 388.95 ± 0.20 | K | NIST |
| Tboil | 388.65 ± 0.30 | K | NIST |
| Tboil | 389.00 ± 0.30 | K | NIST |
| Tboil | 388.75 ± 0.30 | K | NIST |
| Tboil | 389.15 ± 1.00 | K | NIST |
| Tboil | 388.65 ± 0.40 | K | NIST |
| Tboil | 388.75 ± 0.01 | K | NIST |
| Tboil | 388.84 ± 0.30 | K | NIST |
| Tboil | 388.75 ± 0.20 | K | NIST |
| Tboil | 388.40 ± 0.60 | K | NIST |
| Tboil | Outlier 387.25 ± 1.00 | K | NIST |
| Tboil | 388.75 ± 0.10 | K | NIST |
| Tboil | 388.65 ± 0.20 | K | NIST |
| Tboil | 388.65 ± 0.60 | K | NIST |
| Tboil | Outlier 387.35 ± 1.00 | K | NIST |
| Tboil | 388.95 ± 0.30 | K | NIST |
| Tboil | 388.95 ± 0.50 | K | NIST |
| Tboil | 388.95 ± 0.20 | K | NIST |
| Tboil | 388.85 ± 0.50 | K | NIST |
| Tboil | 388.45 ± 0.50 | K | NIST |
| Tboil | 388.45 ± 0.80 | K | NIST |
| Tboil | Outlier 387.05 ± 0.50 | K | NIST |
| Tboil | 389.65 ± 2.00 | K | NIST |
| Tboil | 389.65 ± 2.00 | K | NIST |
| Tc | [563.40; 563.50] | K |
|
| Tc | 563.50 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 563.50 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 563.49 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 563.40 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 563.50 | K | KDB |
| Tc | 563.50 ± 0.50 | K | NIST |
| Tc | 563.40 | K | NIST |
| Tc | 563.42 ± 0.40 | K | NIST |
| Tfus | 160.97 | 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 | [0.468; 0.468] | m3/kmol |
|
| Vc | 0.468 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Vc | 0.468 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | Outlier 0.468 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.468 | m3/kmol | KDB |
| Vc | 0.468 | m3/kmol | NIST |
| Zc | [0.2627070; 0.2630000] |
|
|
| Zc | 0.2630000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value | |
| Zc | 0.2630000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2627070 | KDB | |
| Zra | 0.26 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.58; 299.99] | J/mol×K | [397.40; 522.20] |
|
| Cp,gas | 240.58 | J/mol×K | 397.40 | NIST |
| Cp,gas | 273.22 | J/mol×K | 463.70 | NIST |
| Cp,gas | 299.99 | J/mol×K | 522.20 | NIST |
| ΔvapH | [33.17; 41.40] | kJ/mol | [319.00; 388.80] |
|
| ΔvapH | 41.40 | kJ/mol | 319.00 | NIST |
| ΔvapH | 37.60 | kJ/mol | 350.00 | NIST |
| ΔvapH | 33.20 | kJ/mol | 388.80 | KDB |
| ΔvapH | 33.17 | kJ/mol | 388.80 | NIST |
| n0 | 1.39880 | 298.15 | KDB | |
| ρl | 712.00 | kg/m3 | 293.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.99; 516.00] | 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 | 5.52470e+01 | |||
| Coefficient B | -3.79200e+02 | |||
| Coefficient C | 6.00524e+00 | |||
| Coefficient D | 4.89440e-04 | |||
| Coefficient E | -1.57220e-07 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 121.99 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 211.94 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 283.70 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 340.51 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 386.63 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 424.59 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 455.83 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 481.19 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 501.14 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 516.00 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [152.14; 294.18] | J/mol×K | [138.50; 388.76] |
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 | -2.56410e+02 | |||
| Coefficient B | 5.33540e+01 | |||
| Coefficient C | 5.08024e+00 | |||
| Coefficient D | 4.58000e-03 | |||
| Coefficient E | -4.54570e-06 | |||
| Temperature range, min. | 138.50 | |||
| Temperature range, max. | 388.76 | |||
| Cp,liquid | 152.14 | J/mol×K | 138.50 | Calculated Property |
| Cp,liquid | 162.23 | J/mol×K | 166.31 | Calculated Property |
| Cp,liquid | 177.51 | J/mol×K | 194.11 | Calculated Property |
| Cp,liquid | 195.37 | J/mol×K | 221.92 | Calculated Property |
| Cp,liquid | 214.26 | J/mol×K | 249.73 | Calculated Property |
| Cp,liquid | 233.13 | J/mol×K | 277.53 | Calculated Property |
| Cp,liquid | 251.16 | J/mol×K | 305.34 | Calculated Property |
| Cp,liquid | 267.70 | J/mol×K | 333.15 | Calculated Property |
| Cp,liquid | 282.19 | J/mol×K | 360.95 | Calculated Property |
| Cp,liquid | 294.18 | J/mol×K | 388.76 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006532; 0.0002081] | 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 | 8.03890e+00 | |||
| Coefficient B | 4.80900e+02 | |||
| Coefficient C | -3.15550e+00 | |||
| Coefficient D | 7.42250e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 400.00 | |||
| η | 0.0006532 | Pa×s | 272.04 | Calculated Property |
| η | 0.0005404 | Pa×s | 286.26 | Calculated Property |
| η | 0.0004557 | Pa×s | 300.48 | Calculated Property |
| η | 0.0003909 | Pa×s | 314.69 | Calculated Property |
| η | 0.0003407 | Pa×s | 328.91 | Calculated Property |
| η | 0.0003012 | Pa×s | 343.13 | Calculated Property |
| η | 0.0002698 | Pa×s | 357.35 | Calculated Property |
| η | 0.0002447 | Pa×s | 371.56 | Calculated Property |
| η | 0.0002245 | Pa×s | 385.78 | Calculated Property |
| η | 0.0002081 | Pa×s | 400.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [40.52; 13.00] | kJ/mol | [272.04; 548.16] |
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 | 5.58770e+01 | |||
| Coefficient B | 4.44750e-01 | |||
| Coefficient C | 4.50300e-01 | |||
| Coefficient D | -9.89050e-01 | |||
| Coefficient E | 4.96620e-01 | |||
| Critical temperature, Tc (K) | 5.63400e+02 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 548.16 | |||
| ΔvapH | 40.52 | kJ/mol | 272.04 | Calculated Property |
| ΔvapH | 38.65 | kJ/mol | 302.72 | Calculated Property |
| ΔvapH | 36.75 | kJ/mol | 333.40 | Calculated Property |
| ΔvapH | 34.76 | kJ/mol | 364.08 | Calculated Property |
| ΔvapH | 32.65 | kJ/mol | 394.76 | Calculated Property |
| ΔvapH | 30.31 | kJ/mol | 425.44 | Calculated Property |
| ΔvapH | 27.63 | kJ/mol | 456.12 | Calculated Property |
| ΔvapH | 24.37 | kJ/mol | 486.80 | Calculated Property |
| ΔvapH | 20.05 | kJ/mol | 517.48 | Calculated Property |
| ΔvapH | 13.00 | kJ/mol | 548.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [283.17; 415.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41996e+01 | |||
| Coefficient B | -3.24994e+03 | |||
| Coefficient C | -4.95620e+01 | |||
| Temperature range, min. | 283.17 | |||
| Temperature range, max. | 415.21 | |||
| Pvap | 1.33 | kPa | 283.17 | Calculated Property |
| Pvap | 3.03 | kPa | 297.84 | Calculated Property |
| Pvap | 6.30 | kPa | 312.51 | Calculated Property |
| Pvap | 12.10 | kPa | 327.18 | Calculated Property |
| Pvap | 21.78 | kPa | 341.85 | Calculated Property |
| Pvap | 37.05 | kPa | 356.53 | Calculated Property |
| Pvap | 60.05 | kPa | 371.20 | Calculated Property |
| Pvap | 93.31 | kPa | 385.87 | Calculated Property |
| Pvap | 139.75 | kPa | 400.54 | Calculated Property |
| Pvap | 202.64 | kPa | 415.21 | Calculated Property |
| Pvap | [0.62; 2621.36] | kPa | [272.04; 563.40] |
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 | 9.94022e+01 | |||
| Coefficient B | -8.08390e+03 | |||
| Coefficient C | -1.26360e+01 | |||
| Coefficient D | 8.99100e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 563.5 K. | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 563.40 | |||
| Pvap | 0.62 | kPa | 272.04 | Calculated Property |
| Pvap | 4.15 | kPa | 304.41 | Calculated Property |
| Pvap | 17.89 | kPa | 336.79 | Calculated Property |
| Pvap | 56.55 | kPa | 369.16 | Calculated Property |
| Pvap | 142.99 | kPa | 401.53 | Calculated Property |
| Pvap | 307.43 | kPa | 433.91 | Calculated Property |
| Pvap | 586.70 | kPa | 466.28 | Calculated Property |
| Pvap | 1025.29 | kPa | 498.65 | Calculated Property |
| Pvap | 1678.96 | kPa | 531.03 | Calculated Property |
| Pvap | 2621.36 | kPa | 563.40 | Calculated Property |
| Pvap | [0.13; 2620.62] | kPa | [250.00; 563.40] |
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 | 8.80002e+01 | |||
| Coefficient B | -7.54302e+03 | |||
| Coefficient C | -1.09261e+01 | |||
| Coefficient D | 7.76601e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 563.40 | |||
| Pvap | 0.13 | kPa | 250.00 | Calculated Property |
| Pvap | 1.48 | kPa | 284.82 | Calculated Property |
| Pvap | 8.87 | kPa | 319.64 | Calculated Property |
| Pvap | 34.93 | kPa | 354.47 | Calculated Property |
| Pvap | 102.92 | kPa | 389.29 | Calculated Property |
| Pvap | 246.86 | kPa | 424.11 | Calculated Property |
| Pvap | 510.27 | kPa | 458.93 | Calculated Property |
| Pvap | 946.38 | kPa | 493.76 | Calculated Property |
| Pvap | 1621.21 | kPa | 528.58 | Calculated Property |
| Pvap | 2620.62 | kPa | 563.40 | Calculated Property |
| Pvap | [0.13; 101.58] | kPa | [250.00; 388.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39518e+01 | |||
| Coefficient B | -3.11228e+03 | |||
| Coefficient C | -5.52570e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 388.80 | |||
| Pvap | 0.13 | kPa | 250.00 | Calculated Property |
| Pvap | 0.42 | kPa | 265.42 | Calculated Property |
| Pvap | 1.17 | kPa | 280.84 | Calculated Property |
| Pvap | 2.82 | kPa | 296.27 | Calculated Property |
| Pvap | 6.14 | kPa | 311.69 | Calculated Property |
| Pvap | 12.23 | kPa | 327.11 | Calculated Property |
| Pvap | 22.60 | kPa | 342.53 | Calculated Property |
| Pvap | 39.25 | kPa | 357.96 | Calculated Property |
| Pvap | 64.62 | kPa | 373.38 | Calculated Property |
| Pvap | 101.58 | kPa | 388.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [727.02; 252.49] | kg/m3 | [272.04; 563.40] |
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 | 5.55779e+01 | |||
| Coefficient B | 2.49240e-01 | |||
| Coefficient C | 5.63430e+02 | |||
| Coefficient D | 2.45330e-01 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 563.42 K. | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 563.40 | |||
| ρl | 727.02 | kg/m3 | 272.04 | Calculated Property |
| ρl | 702.96 | kg/m3 | 304.41 | Calculated Property |
| ρl | 677.42 | kg/m3 | 336.79 | Calculated Property |
| ρl | 650.06 | kg/m3 | 369.16 | Calculated Property |
| ρl | 620.34 | kg/m3 | 401.53 | Calculated Property |
| ρl | 587.44 | kg/m3 | 433.91 | Calculated Property |
| ρl | 549.93 | kg/m3 | 466.28 | Calculated Property |
| ρl | 504.89 | kg/m3 | 498.65 | Calculated Property |
| ρl | 444.36 | kg/m3 | 531.03 | Calculated Property |
| ρl | 252.49 | kg/m3 | 563.40 | 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 | 2.56190e-05 | |||
| Coefficient B | 1.18620e+00 | |||
| Coefficient C | -1.77900e+02 | |||
| Coefficient D | 1.53600e+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; 388.76] |
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 | -4.18640e-03 | |||
| Coefficient B | -1.33360e+02 | |||
| Coefficient C | -6.53260e-01 | |||
| Coefficient D | -3.97500e-03 | |||
| Coefficient E | 8.38670e-07 | |||
| Temperature range, min. | 272.04 | |||
| Temperature range, max. | 388.76 | |||
| λliquid | 0.11 | W/m×K | 272.04 | Calculated Property |
| λliquid | 0.11 | W/m×K | 285.01 | Calculated Property |
| λliquid | 0.11 | W/m×K | 297.98 | Calculated Property |
| λliquid | 0.10 | W/m×K | 310.95 | Calculated Property |
| λliquid | 0.10 | W/m×K | 323.92 | Calculated Property |
| λliquid | 0.10 | W/m×K | 336.88 | Calculated Property |
| λliquid | 0.09 | W/m×K | 349.85 | Calculated Property |
| λliquid | 0.09 | W/m×K | 362.82 | Calculated Property |
| λliquid | 0.09 | W/m×K | 375.79 | Calculated Property |
| λliquid | 0.09 | W/m×K | 388.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,3-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
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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