- InChI
- InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3/b5-4+,7-6+
- InChI Key
- AHXXJOUHGBPWGW-YTXTXJHMSA-N
- Formula
- C9H14
- SMILES
- CC=CC=CC=C(C)C
- Molecular Weight1
- 122.21
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 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 | 0.2550 | Relay (... Calculated Property | |
| ΔfG° | 257.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.94 | kJ/mol | Relay (... Calculated Property |
| IE | 7.85 | eV | Relay (... Calculated Property |
| log10WS | -3.85 | Relay (... Calculated Property | |
| logPoct/wat | 3.085 | Crippen Calculated Property | |
| McVol | 124.770 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [985.00; 985.00] |
|
|
| Inp | 985.00 | NIST | |
| Inp | 985.00 | NIST | |
| Tboil | 423.72 | K | Relay (... Calculated Property |
| Tc | 597.27 | K | Relay (... Calculated Property |
| Tfus | 306.75 | K | Relay (... Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.18; 299.75] | J/mol×K | [417.68; 610.37] |
|
| Cp,gas | 228.18 | J/mol×K | 417.68 | Joback Calculated Property |
| Cp,gas | 241.99 | J/mol×K | 449.79 | Joback Calculated Property |
| Cp,gas | 254.98 | J/mol×K | 481.91 | Joback Calculated Property |
| Cp,gas | 267.21 | J/mol×K | 514.02 | Joback Calculated Property |
| Cp,gas | 278.72 | J/mol×K | 546.14 | Joback Calculated Property |
| Cp,gas | 289.55 | J/mol×K | 578.25 | Joback Calculated Property |
| Cp,gas | 299.75 | J/mol×K | 610.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-2,4,6-octatriene.
Sources
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