- InChI
- InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3
- InChI Key
- BIDIHFPLDRSAMB-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- CC=CC(C)(C)C
- Molecular Weight1
- 98.19
- CAS
- 26232-98-4
- Other Names
-
- 4,4-Dimethyl-2-pentene
- CH3CH=CHC(CH3)3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 |
|---|---|---|---|
| ω | 0.2306 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -96.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | 644.00 | NIST | |
| Tboil | [349.15; 358.15] | K |
|
| Tboil | 349.90 ± 0.60 | K | NIST |
| Tboil | 349.15 ± 0.50 | K | NIST |
| Tboil | 349.85 ± 1.50 | K | NIST |
| Tboil | 358.15 ± 3.00 | K | NIST |
| Tboil | 358.15 ± 3.00 | K | NIST |
| Tc | 512.76 | K | Relay (1.0) Calculated Property |
| Tfus | [148.05; 154.29] | K |
|
| Tfus | 148.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 154.29 ± 0.30 | K | NIST |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.52; 351.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.21300e+01 | |||
| Coefficient B | 8.14680e-01 | |||
| Coefficient C | -6.12600e-04 | |||
| Coefficient D | 1.91400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 241.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 266.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 306.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 323.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 337.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 351.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0219194; 0.0001920] | Pa×s | [151.17; 381.46] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16681e+01 | |||
| Coefficient B | 1.18634e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 151.17 | |||
| Temperature range, max. | 381.46 | |||
| η | 0.0219194 | Pa×s | 151.17 | Calculated Property |
| η | 0.0070380 | Pa×s | 176.76 | Calculated Property |
| η | 0.0030120 | Pa×s | 202.35 | Calculated Property |
| η | 0.0015596 | Pa×s | 227.93 | Calculated Property |
| η | 0.0009223 | Pa×s | 253.52 | Calculated Property |
| η | 0.0006006 | Pa×s | 279.11 | Calculated Property |
| η | 0.0004203 | Pa×s | 304.70 | Calculated Property |
| η | 0.0003108 | Pa×s | 330.28 | Calculated Property |
| η | 0.0002401 | Pa×s | 355.87 | Calculated Property |
| η | 0.0001920 | Pa×s | 381.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentene, 4,4-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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