- InChI
- InChI=1S/C10H18/c1-5-7-9(3)10(4)8-6-2/h5-10H,1-4H3
- InChI Key
- JASAKDWEYSDIHI-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CC=CC(C)C(C)C=CC
- Molecular Weight1
- 138.25
- 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).
- 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 | 0.3095 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.411 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Tboil | 426.50 ± 2.00 | K | NIST |
| Tc | 577.86 | K | Relay (1.0) Calculated Property |
| Tfus | [208.35; 208.40] | K |
|
| Tfus | 208.35 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 208.40 ± 2.00 | K | NIST |
| Vc | 0.500 | 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 | [188.98; 475.15] | 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 | -3.79300e+01 | |||
| Coefficient B | 1.00568e+00 | |||
| Coefficient C | -6.94200e-04 | |||
| Coefficient D | 2.01600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 239.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 284.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 387.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 436.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 456.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 475.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037002; 0.0001499] | Pa×s | [208.38; 435.81] |
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 | -1.17429e+01 | |||
| Coefficient B | 1.28016e+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. | 208.38 | |||
| Temperature range, max. | 435.81 | |||
| η | 0.0037002 | Pa×s | 208.38 | Calculated Property |
| η | 0.0019039 | Pa×s | 233.65 | Calculated Property |
| η | 0.0011153 | Pa×s | 258.92 | Calculated Property |
| η | 0.0007186 | Pa×s | 284.19 | Calculated Property |
| η | 0.0004974 | Pa×s | 309.46 | Calculated Property |
| η | 0.0003640 | Pa×s | 334.73 | Calculated Property |
| η | 0.0002783 | Pa×s | 360.00 | Calculated Property |
| η | 0.0002204 | Pa×s | 385.27 | Calculated Property |
| η | 0.0001796 | Pa×s | 410.54 | Calculated Property |
| η | 0.0001499 | Pa×s | 435.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Octadiene, 4,5-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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