- InChI
- InChI=1S/C9H18/c1-6-9(4,5)7-8(2)3/h2,6-7H2,1,3-5H3
- InChI Key
- AVKVJWFFVHGHLJ-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- C=C(C)CC(C)(C)CC
- Molecular Weight1
- 126.24
- CAS
- 51174-12-0
- 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).
- 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 | 0.3215 | Relay (... Calculated Property | |
| ΔfG° | 107.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.74 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -4.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2460.47 | kPa | Joback Calculated Property |
| Tboil | 401.54 | K | Relay (... Calculated Property |
| Tc | 575.91 | K | Relay (... Calculated Property |
| Tfus | 158.18 | K | Relay (... Calculated Property |
| Vc | 0.469 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.60; 340.24] | J/mol×K | [398.65; 579.25] | 
|
| Cp,gas | 258.60 | J/mol×K | 398.65 | Joback Calculated Property |
| Cp,gas | 274.01 | J/mol×K | 428.75 | Joback Calculated Property |
| Cp,gas | 288.67 | J/mol×K | 458.85 | Joback Calculated Property |
| Cp,gas | 302.59 | J/mol×K | 488.95 | Joback Calculated Property |
| Cp,gas | 315.80 | J/mol×K | 519.05 | Joback Calculated Property |
| Cp,gas | 328.34 | J/mol×K | 549.15 | Joback Calculated Property |
| Cp,gas | 340.24 | J/mol×K | 579.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,4-Trimethyl-1-hexene.
Sources
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