- InChI
- InChI=1S/C9H18/c1-8(2)6-7-9(3,4)5/h6-8H,1-5H3/b7-6+
- InChI Key
- TWZONWQQRUSASE-VOTSOKGWSA-N
- Formula
- C9H18
- SMILES
- CC(C)/C=C/C(C)(C)C
- Molecular Weight1
- 126.24
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -119.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.245 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Inp | [765.00; 765.00] |
|
|
| Inp | 765.00 | NIST | |
| Inp | 765.00 | NIST | |
| Tboil | 375.75 | K | Relay (1.0) Calculated Property |
| Tfus | 189.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.61; 343.53] | J/mol×K | [406.01; 592.75] |
|
| Cp,gas | 259.61 | J/mol×K | 406.01 | Joback Calculated Property |
| Cp,gas | 275.61 | J/mol×K | 437.13 | Joback Calculated Property |
| Cp,gas | 290.75 | J/mol×K | 468.26 | Joback Calculated Property |
| Cp,gas | 305.08 | J/mol×K | 499.38 | Joback Calculated Property |
| Cp,gas | 318.62 | J/mol×K | 530.50 | Joback Calculated Property |
| Cp,gas | 331.43 | J/mol×K | 561.62 | Joback Calculated Property |
| Cp,gas | 343.53 | J/mol×K | 592.75 | Joback Calculated Property |
| η | [0.0002097; 0.0221680] | Pa×s | [173.53; 406.01] |
|
| η | 0.0221680 | Pa×s | 173.53 | Joback Calculated Property |
| η | 0.0050174 | Pa×s | 212.28 | Joback Calculated Property |
| η | 0.0017965 | Pa×s | 251.02 | Joback Calculated Property |
| η | 0.0008466 | Pa×s | 289.77 | Joback Calculated Property |
| η | 0.0004764 | Pa×s | 328.52 | Joback Calculated Property |
| η | 0.0003027 | Pa×s | 367.26 | Joback Calculated Property |
| η | 0.0002097 | Pa×s | 406.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 2,2,5-trimethyl.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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