- InChI
- InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
- InChI Key
- LAAVYEUJEMRIGF-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC(C)=CC(C)(C)C
- Molecular Weight1
- 112.21
- CAS
- 107-40-4
- Other Names
-
- (CH3)3CCH=C(CH3)2
- 2,2,4-Trimethyl-3-pentene
- 2,4,4-Trimethyl-2-pentene
- 2,4,4-Trimethylpent-2-ene
- 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).
- 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).
- Inp : Non-polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (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 | -5292.30 ± 1.80 | kJ/mol | NIST |
| ΔfG° | 90.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.40; 39.30] | kJ/mol |
|
| ΔvapH° | 39.30 | kJ/mol | NIST |
| ΔvapH° | 37.40 | kJ/mol | NIST |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | [701.00; 731.30] |
|
|
| Inp | 726.70 | NIST | |
| Inp | 714.50 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 727.00 | NIST | |
| Inp | 728.00 | NIST | |
| Inp | 729.50 | NIST | |
| Inp | 729.80 | NIST | |
| Inp | 730.10 | NIST | |
| Inp | 730.50 | NIST | |
| Inp | 730.90 | NIST | |
| Inp | 731.30 | NIST | |
| Inp | 727.50 | NIST | |
| Inp | 728.20 | NIST | |
| Inp | 728.80 | NIST | |
| Inp | 729.50 | NIST | |
| Inp | 730.20 | NIST | |
| Inp | 730.90 | NIST | |
| Inp | 730.30 | NIST | |
| Inp | 729.50 | NIST | |
| Inp | 728.70 | NIST | |
| Inp | 727.80 | NIST | |
| Inp | 726.80 | NIST | |
| Inp | 725.80 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | Outlier 701.00 | NIST | |
| Inp | Outlier 704.00 | NIST | |
| Inp | Outlier 707.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 714.50 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 727.00 | NIST | |
| Inp | 728.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 727.00 | NIST | |
| Inp | 727.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 730.00 | NIST | |
| S°liquid | 298.70 | J/mol×K | NIST |
| Tboil | [376.55; 378.30] | K |
|
| Tboil | 378.10 | K | NIST |
| Tboil | 377.05 ± 0.30 | K | NIST |
| Tboil | 378.06 ± 0.10 | K | NIST |
| Tboil | 377.70 ± 0.50 | K | NIST |
| Tboil | 378.30 ± 0.20 | K | NIST |
| Tboil | 376.55 ± 0.30 | K | NIST |
| Tc | 570.42 | K | Joback Calculated Property |
| Tfus | [166.64; 166.82] | K |
|
| Tfus | 166.79 ± 0.05 | K | NIST |
| Tfus | 166.82 ± 0.02 | K | NIST |
| Tfus | 166.64 ± 0.10 | K | NIST |
| Tfus | 166.65 ± 0.20 | K | NIST |
| Ttriple | 166.00 ± 2.00 | K | NIST |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.11; 296.41] | J/mol×K | [383.25; 570.42] |
|
| Cp,gas | 219.11 | J/mol×K | 383.25 | Joback Calculated Property |
| Cp,gas | 233.89 | J/mol×K | 414.44 | Joback Calculated Property |
| Cp,gas | 247.86 | J/mol×K | 445.64 | Joback Calculated Property |
| Cp,gas | 261.06 | J/mol×K | 476.83 | Joback Calculated Property |
| Cp,gas | 273.52 | J/mol×K | 508.03 | Joback Calculated Property |
| Cp,gas | 285.30 | J/mol×K | 539.22 | Joback Calculated Property |
| Cp,gas | 296.41 | J/mol×K | 570.42 | Joback Calculated Property |
| Cp,liquid | 233.50 | J/mol×K | 296.00 | NIST |
| ΔfusH | [6.78; 6.80] | kJ/mol | [166.00; 166.00] |
|
| ΔfusH | 6.78 | kJ/mol | 166.00 | NIST |
| ΔfusH | 6.80 | kJ/mol | 166.00 | NIST |
| ΔvapH | [31.90; 37.20] | kJ/mol | [341.50; 374.60] |
|
| ΔvapH | 37.20 | kJ/mol | 341.50 | NIST |
| ΔvapH | 35.70 | kJ/mol | 349.50 | NIST |
| ΔvapH | 31.90 | kJ/mol | 374.30 | NIST |
| ΔvapH | 35.20 | kJ/mol | 374.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [272.71; 404.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38467e+01 | |||
| Coefficient B | -3.04207e+03 | |||
| Coefficient C | -4.83560e+01 | |||
| Temperature range, min. | 272.71 | |||
| Temperature range, max. | 404.77 | |||
| Pvap | 1.33 | kPa | 272.71 | Calculated Property |
| Pvap | 3.06 | kPa | 287.38 | Calculated Property |
| Pvap | 6.40 | kPa | 302.06 | Calculated Property |
| Pvap | 12.32 | kPa | 316.73 | Calculated Property |
| Pvap | 22.18 | kPa | 331.40 | Calculated Property |
| Pvap | 37.67 | kPa | 346.08 | Calculated Property |
| Pvap | 60.87 | kPa | 360.75 | Calculated Property |
| Pvap | 94.22 | kPa | 375.42 | Calculated Property |
| Pvap | 140.47 | kPa | 390.10 | Calculated Property |
| Pvap | 202.65 | kPa | 404.77 | Calculated Property |
| Pvap | [7.29e-06; 2614.32] | kPa | [166.84; 558.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.52911e+01 | |||
| Coefficient B | -6.92635e+03 | |||
| Coefficient C | -8.93919e+00 | |||
| Coefficient D | 4.89798e-06 | |||
| Temperature range, min. | 166.84 | |||
| Temperature range, max. | 558.00 | |||
| Pvap | 7.29e-06 | kPa | 166.84 | Calculated Property |
| Pvap | 5.31e-03 | kPa | 210.30 | Calculated Property |
| Pvap | 0.31 | kPa | 253.76 | Calculated Property |
| Pvap | 4.56 | kPa | 297.23 | Calculated Property |
| Pvap | 30.12 | kPa | 340.69 | Calculated Property |
| Pvap | 119.85 | kPa | 384.15 | Calculated Property |
| Pvap | 341.55 | kPa | 427.61 | Calculated Property |
| Pvap | 775.83 | kPa | 471.08 | Calculated Property |
| Pvap | 1505.42 | kPa | 514.54 | Calculated Property |
| Pvap | 2614.32 | kPa | 558.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentene, 2,4,4-trimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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