- InChI
- InChI=1S/C14H28/c1-9-11(13(3,4)5)12(10-2)14(6,7)8/h9-10H2,1-8H3/b12-11-
- InChI Key
- MVTUXXAVOOUGFH-QXMHVHEDSA-N
- Formula
- C14H28
- SMILES
- CCC(=C(CC)C(C)(C)C)C(C)(C)C
- Molecular Weight1
- 196.37
- CAS
- 75245-22-6
- 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 | 0.3719 | Relay (... Calculated Property | |
| ΔfG° | 135.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.02 | kJ/mol | Relay (... Calculated Property |
| IE | 8.06 | eV | Relay (... Calculated Property |
| log10WS | -5.77 | Relay (... Calculated Property | |
| logPoct/wat | 5.195 | Crippen Calculated Property | |
| McVol | 203.820 | ml/mol | McGowan Calculated Property |
| Pc | 1649.77 | kPa | Joback Calculated Property |
| Tboil | 478.50 | K | Relay (... Calculated Property |
| Tc | 659.83 | K | Relay (... Calculated Property |
| Tfus | 265.83 | K | Relay (... Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.46; 602.50] | J/mol×K | [517.18; 708.74] | 
|
| Cp,gas | 493.46 | J/mol×K | 517.18 | Joback Calculated Property |
| Cp,gas | 514.43 | J/mol×K | 549.11 | Joback Calculated Property |
| Cp,gas | 534.19 | J/mol×K | 581.03 | Joback Calculated Property |
| Cp,gas | 552.81 | J/mol×K | 612.96 | Joback Calculated Property |
| Cp,gas | 570.35 | J/mol×K | 644.88 | Joback Calculated Property |
| Cp,gas | 586.89 | J/mol×K | 676.81 | Joback Calculated Property |
| Cp,gas | 602.50 | J/mol×K | 708.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z) 3,4-Di-tert-butyl-3-hexene.
Sources
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