- InChI
- InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6H,7H2,1-5H3/b8-6+
- InChI Key
- MXAFMRHRWMAVRM-SOFGYWHQSA-N
- Formula
- C9H18
- SMILES
- CC=C(C)CC(C)(C)C
- Molecular Weight1
- 126.24
- CAS
- 26456-76-8
- Other Names
-
- 3,5,5-Trimethyl-hex-2-ene
- 3,5,5-Trimethyl-2-hexene
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 99.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -130.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [968.00; 985.00] |
|
|
| Inp | 985.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 985.00 | NIST | |
| Tboil | [433.70; 435.00] | K |
|
| Tboil | 435.00 ± 2.00 | K | NIST |
| Tboil | 433.70 ± 1.50 | K | NIST |
| Tc | 592.11 | K | Joback Calculated Property |
| Tfus | 174.57 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.53; 342.52] | J/mol×K | [406.13; 592.11] |
|
| Cp,gas | 259.53 | J/mol×K | 406.13 | Joback Calculated Property |
| Cp,gas | 275.34 | J/mol×K | 437.13 | Joback Calculated Property |
| Cp,gas | 290.31 | J/mol×K | 468.12 | Joback Calculated Property |
| Cp,gas | 304.47 | J/mol×K | 499.12 | Joback Calculated Property |
| Cp,gas | 317.87 | J/mol×K | 530.11 | Joback Calculated Property |
| Cp,gas | 330.54 | J/mol×K | 561.11 | Joback Calculated Property |
| Cp,gas | 342.52 | J/mol×K | 592.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 3,5,5-trimethyl-.
Sources
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