- InChI
- InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
- InChI Key
- FXNDIJDIPNCZQJ-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=C(C)CC(C)(C)C
- Molecular Weight1
- 112.21
- CAS
- 107-39-1
- Other Names
-
- (tert-C4H9)CH2C(CH3)=CH2
- .alpha.-diisobutylene
- 1-Pentene, 2,2,4-trimethyl-
- 2,2,4-TRIMETHYL-4-PENETEN
- 2,2,4-Trimethyl-4-pentene
- 2,4,4-Trimethyl-1-pentene
- 2,4,4-Trimethylpent-1-ene
- 2,4,4-Trimethylpentene-1
- DIISOBUTENE
- DIISOBUTYLENE
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboil : Boiling point at given pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-5292.72; -5289.08] | kJ/mol |
|
| ΔcH°liquid | -5289.08 ± 0.67 | kJ/mol | NIST |
| ΔcH°liquid | -5292.72 | kJ/mol | NIST |
| ΔfG° | 98.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.70; 35.70] | kJ/mol |
|
| ΔvapH° | 35.70 | kJ/mol | NIST |
| ΔvapH° | 35.70 | kJ/mol | NIST |
| ΔvapH° | 35.70 | kJ/mol | NIST |
| IE | 8.91 ± 0.01 | eV | NIST |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Inp | [701.50; 717.60] |
|
|
| Inp | 708.60 | NIST | |
| Inp | 701.50 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 715.20 | NIST | |
| Inp | 716.40 | NIST | |
| Inp | 717.60 | NIST | |
| Inp | 709.90 | NIST | |
| Inp | 711.20 | NIST | |
| Inp | 712.50 | NIST | |
| Inp | 713.80 | NIST | |
| Inp | 715.30 | NIST | |
| Inp | 716.80 | NIST | |
| Inp | 710.20 | NIST | |
| Inp | 711.50 | NIST | |
| Inp | 711.90 | NIST | |
| Inp | 712.60 | NIST | |
| Inp | 717.10 | NIST | |
| Inp | 714.30 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 709.00 | NIST | |
| I | [750.00; 750.00] |
|
|
| I | 750.00 | NIST | |
| I | 750.00 | NIST | |
| S°liquid | [306.30; 311.70] | J/mol×K |
|
| S°liquid | 306.30 | J/mol×K | NIST |
| S°liquid | 311.70 | J/mol×K | NIST |
| Tboil | [373.25; 378.10] | K |
|
| Tboil | 374.60 | K | NIST |
| Tboil | 374.59 ± 0.30 | K | NIST |
| Tboil | 375.00 ± 3.00 | K | NIST |
| Tboil | 375.00 ± 3.00 | K | NIST |
| Tboil | Outlier 377.61 ± 2.00 | K | NIST |
| Tboil | 374.60 ± 0.50 | K | NIST |
| Tboil | 374.45 ± 0.30 | K | NIST |
| Tboil | 374.70 ± 0.60 | K | NIST |
| Tboil | 374.70 ± 0.15 | K | NIST |
| Tboil | 374.58 ± 0.05 | K | NIST |
| Tboil | 374.59 ± 0.20 | K | NIST |
| Tboil | 374.59 ± 0.20 | K | NIST |
| Tboil | 374.59 ± 0.20 | K | NIST |
| Tboil | 374.40 ± 1.00 | K | NIST |
| Tboil | 375.80 ± 0.50 | K | NIST |
| Tboil | Outlier 378.10 ± 0.50 | K | NIST |
| Tboil | 374.80 ± 0.15 | K | NIST |
| Tboil | 373.25 ± 0.30 | K | NIST |
| Tboil | 374.40 ± 0.50 | K | NIST |
| Tboil | 375.95 ± 0.30 | K | NIST |
| Tboil | 374.40 ± 0.60 | K | NIST |
| Tc | 557.27 | K | Joback Calculated Property |
| Tfus | 166.62 | K | Joback Calculated Property |
| Ttriple | [172.00; 178.90] | K |
|
| Ttriple | 178.90 ± 0.20 | K | NIST |
| Ttriple | 172.00 ± 1.00 | K | NIST |
| Vc | 0.455 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.61; 294.42] | J/mol×K | [375.77; 557.27] |
|
| Cp,gas | 218.61 | J/mol×K | 375.77 | Joback Calculated Property |
| Cp,gas | 232.95 | J/mol×K | 406.02 | Joback Calculated Property |
| Cp,gas | 246.58 | J/mol×K | 436.27 | Joback Calculated Property |
| Cp,gas | 259.50 | J/mol×K | 466.52 | Joback Calculated Property |
| Cp,gas | 271.77 | J/mol×K | 496.77 | Joback Calculated Property |
| Cp,gas | 283.40 | J/mol×K | 527.02 | Joback Calculated Property |
| Cp,gas | 294.42 | J/mol×K | 557.27 | Joback Calculated Property |
| Cp,liquid | [235.35; 240.20] | J/mol×K | [296.00; 298.60] |
|
| Cp,liquid | 235.35 | J/mol×K | 296.00 | NIST |
| Cp,liquid | 240.20 | J/mol×K | 298.60 | NIST |
| ΔfusH | [6.79; 8.79] | kJ/mol | [166.00; 178.90] |
|
| ΔfusH | 6.79 | kJ/mol | 166.00 | NIST |
| ΔfusH | 8.79 | kJ/mol | 178.90 | NIST |
| ΔfusH | 8.77 | kJ/mol | 178.90 | NIST |
| ΔfusH | 8.77 | kJ/mol | 178.90 | NIST |
| ΔvapH | [33.50; 35.10] | kJ/mol | [338.00; 362.00] |
|
| ΔvapH | 35.10 | kJ/mol | 338.00 | NIST |
| ΔvapH | 33.50 | kJ/mol | 362.00 | NIST |
| Pvap | [8.66; 58.57] | kPa | [306.23; 356.24] |
|
| Pvap | 8.66 | kPa | 306.23 | Vapor-L... |
| Pvap | 10.15 | kPa | 309.74 | Vapor-L... |
| Pvap | 11.78 | kPa | 313.14 | Vapor-L... |
| Pvap | 13.56 | kPa | 316.42 | Vapor-L... |
| Pvap | 15.49 | kPa | 319.61 | Vapor-L... |
| Pvap | 17.94 | kPa | 323.20 | Vapor-L... |
| Pvap | 20.63 | kPa | 326.72 | Vapor-L... |
| Pvap | 23.47 | kPa | 330.07 | Vapor-L... |
| Pvap | 26.37 | kPa | 333.14 | Vapor-L... |
| Pvap | 29.75 | kPa | 336.41 | Vapor-L... |
| Pvap | 33.57 | kPa | 339.75 | Vapor-L... |
| Pvap | 37.81 | kPa | 343.12 | Vapor-L... |
| Pvap | 42.90 | kPa | 346.79 | Vapor-L... |
| Pvap | 47.01 | kPa | 349.50 | Vapor-L... |
| Pvap | 53.00 | kPa | 353.14 | Vapor-L... |
| Pvap | 58.57 | kPa | 356.24 | Vapor-L... |
| n0 | 1.40620 | 298.15 | Phase e... | |
| ρl | [710.70; 710.73] | kg/m3 | [298.15; 298.15] |
|
| ρl | 710.70 | kg/m3 | 298.15 | Measure... |
| ρl | 710.73 | kg/m3 | 298.15 | Binary ... |
| ΔfusS | [40.90; 48.99] | J/mol×K | [166.00; 178.90] |
|
| ΔfusS | 40.90 | J/mol×K | 166.00 | NIST |
| ΔfusS | 48.99 | J/mol×K | 178.90 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | 374.50 | K | 101.20 | Vapor L... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [269.50; 401.80] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38710e+01 | |||
| Coefficient B | -3.06177e+03 | |||
| Coefficient C | -4.40930e+01 | |||
| Temperature range, min. | 269.50 | |||
| Temperature range, max. | 401.80 | |||
| Pvap | 1.33 | kPa | 269.50 | Calculated Property |
| Pvap | 3.06 | kPa | 284.20 | Calculated Property |
| Pvap | 6.39 | kPa | 298.90 | Calculated Property |
| Pvap | 12.31 | kPa | 313.60 | Calculated Property |
| Pvap | 22.15 | kPa | 328.30 | Calculated Property |
| Pvap | 37.63 | kPa | 343.00 | Calculated Property |
| Pvap | 60.82 | kPa | 357.70 | Calculated Property |
| Pvap | 94.17 | kPa | 372.40 | Calculated Property |
| Pvap | 140.43 | kPa | 387.10 | Calculated Property |
| Pvap | 202.67 | kPa | 401.80 | Calculated Property |
| Pvap | [1.58e-04; 2555.47] | kPa | [179.70; 553.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.30325e+01 | |||
| Coefficient B | -6.61504e+03 | |||
| Coefficient C | -8.69861e+00 | |||
| Coefficient D | 5.59308e-06 | |||
| Temperature range, min. | 179.70 | |||
| Temperature range, max. | 553.00 | |||
| Pvap | 1.58e-04 | kPa | 179.70 | Calculated Property |
| Pvap | 0.03 | kPa | 221.18 | Calculated Property |
| Pvap | 0.80 | kPa | 262.66 | Calculated Property |
| Pvap | 7.89 | kPa | 304.13 | Calculated Property |
| Pvap | 41.03 | kPa | 345.61 | Calculated Property |
| Pvap | 141.08 | kPa | 387.09 | Calculated Property |
| Pvap | 367.63 | kPa | 428.57 | Calculated Property |
| Pvap | 791.55 | kPa | 470.04 | Calculated Property |
| Pvap | 1491.10 | kPa | 511.52 | Calculated Property |
| Pvap | 2555.47 | kPa | 553.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 2,4,4-trimethyl-.
Mixtures
- Thiophene, 3-methyl- + 1-Pentene, 2,4,4-trimethyl-
- 1-Pentene, 2,4,4-trimethyl- + Disulfide, dimethyl
- Dimethyl sulfide + 1-Pentene, 2,4,4-trimethyl-
- 1-Pentene, 2,4,4-trimethyl- + Methyl Alcohol
- 1-Pentene, 2,4,4-trimethyl- + Methyl Alcohol + Water
- Ethanol + 1-Pentene, 2,4,4-trimethyl-
- Isopropyl Alcohol + 1-Pentene, 2,4,4-trimethyl-
- 2-Propanol, 2-methyl- + 1-Pentene, 2,4,4-trimethyl-
- 1-Pentene, 2,4,4-trimethyl- + Thiophene, tetrahydro-
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Phase equilibria on four binary systems containing 3-methylthiophene
- Phase equilibria for systems containing dimethyl disulfide and diethyl disulfide with hydrocarbons at 368.15 K
- Vapor liquid equilibrium for binary system of tetrahydrothiophene + 2,2,4-trimethylpentane and tetrahydrothiophene + 2,4,4-trimethyl-1-pentene at 358.15 and 368.15 K
- Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
- Measurements and modeling of LLE and HE for (methanol + 2,4,4-trimethyl-1-pentene), and LLE for (water + methanol + 2,4,4-trimethyl-1-pentene)
- Vapor Liquid Equilibria for Ethanol + 2,4,4-Trimethyl-1-pentene and 2-Propanol + 2,4,4-Trimethyl-1-pentene at 101 kPa
- Vapor-Liquid Equilibrium Data at 343 K and Excess Molar Enthalpy Data at 298 K for the Binary Systems of Ethanol + 2,4,4-Trimethyl-1-pentene and 2-Propanol + 2,4,4-Trimethyl-1-pentene
- Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene
- Binary Liquid Liquid Equilibria of ?-Valerolactone with Some Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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