- InChI
- InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5-8H,1-4H3
- InChI Key
- OAVNNZUEVHDCKP-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC=CC(C)C(C)C
- Molecular Weight1
- 112.21
- CAS
- 73548-71-7
- Other Names
-
- 4,5-dimethyl-2-hexene (cis,trans unspecified)
- 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 | 0.2877 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -130.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.855 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | 736.00 | NIST | |
| Tboil | 382.95 ± 0.50 | K | NIST |
| Tc | 546.59 | K | Relay (1.0) Calculated Property |
| Tfus | 177.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | 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 | [160.56; 402.55] | 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 | -2.19300e+01 | |||
| Coefficient B | 7.95680e-01 | |||
| Coefficient C | -5.01600e-04 | |||
| Coefficient D | 1.30400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 272.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 301.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 327.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 349.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 369.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 402.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0231611; 0.0001747] | Pa×s | [144.84; 396.25] |
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 | -1.14676e+01 | |||
| Coefficient B | 1.11560e+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. | 144.84 | |||
| Temperature range, max. | 396.25 | |||
| η | 0.0231611 | Pa×s | 144.84 | Calculated Property |
| η | 0.0066669 | Pa×s | 172.77 | Calculated Property |
| η | 0.0027141 | Pa×s | 200.71 | Calculated Property |
| η | 0.0013763 | Pa×s | 228.64 | Calculated Property |
| η | 0.0008091 | Pa×s | 256.58 | Calculated Property |
| η | 0.0005280 | Pa×s | 284.51 | Calculated Property |
| η | 0.0003718 | Pa×s | 312.45 | Calculated Property |
| η | 0.0002774 | Pa×s | 340.38 | Calculated Property |
| η | 0.0002163 | Pa×s | 368.32 | Calculated Property |
| η | 0.0001747 | Pa×s | 396.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 4,5-dimethyl-.
Sources
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