- InChI
- InChI=1S/C9H16/c1-4-6-8-9(3)7-5-2/h4-7,9H,8H2,1-3H3/b6-4+,7-5+
- InChI Key
- UVAJNHJZOQGXLA-YDFGWWAZSA-N
- Formula
- C9H16
- SMILES
- CC=CCC(C)C=CC
- Molecular Weight1
- 124.22
- CAS
- 74498-94-5
- Other Names
-
- 4-methyl-2,6-octadiene
- 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 | 0.2990 | Relay (1.0) Calculated Property | |
| ΔfG° | 182.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.165 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Tboil | 409.01 | K | Relay (1.0) Calculated Property |
| Tc | 572.21 | K | Relay (1.0) Calculated Property |
| Tfus | 178.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.33; 318.53] | J/mol×K | [413.40; 597.41] | 
|
| Cp,gas | 243.33 | J/mol×K | 413.40 | Joback Calculated Property |
| Cp,gas | 257.56 | J/mol×K | 444.07 | Joback Calculated Property |
| Cp,gas | 271.06 | J/mol×K | 474.74 | Joback Calculated Property |
| Cp,gas | 283.88 | J/mol×K | 505.41 | Joback Calculated Property |
| Cp,gas | 296.04 | J/mol×K | 536.07 | Joback Calculated Property |
| Cp,gas | 307.58 | J/mol×K | 566.74 | Joback Calculated Property |
| Cp,gas | 318.53 | J/mol×K | 597.41 | Joback Calculated Property |
| η | [0.0001601; 0.0100379] | Pa×s | [166.03; 413.40] |
|
| η | 0.0100379 | Pa×s | 166.03 | Joback Calculated Property |
| η | 0.0025363 | Pa×s | 207.26 | Joback Calculated Property |
| η | 0.0010116 | Pa×s | 248.49 | Joback Calculated Property |
| η | 0.0005241 | Pa×s | 289.72 | Joback Calculated Property |
| η | 0.0003199 | Pa×s | 330.94 | Joback Calculated Property |
| η | 0.0002178 | Pa×s | 372.17 | Joback Calculated Property |
| η | 0.0001601 | Pa×s | 413.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Octadiene, 4-methyl-.
Sources
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