- InChI
- InChI=1S/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3/b8-7+
- InChI Key
- UYWLQEPMPVDASH-BQYQJAHWSA-N
- Formula
- C10H20
- SMILES
- CC(C)(C)C=CC(C)(C)C
- Molecular Weight1
- 140.27
- CAS
- 692-48-8
- Other Names
-
- 3-Hexene, 2,2,5,5-tetramethyl-, (E)-
- (E)-2,2,5,5-tetramethylhex-3-ene
- (E)-2,2,5,5-Tetramethyl-3-hexene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6585.90 ± 2.50 | kJ/mol | NIST |
| ΔfG° | 119.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-167.00; -165.50] | kJ/mol |
|
| ΔfH°gas | -167.00 | kJ/mol | NIST |
| ΔfH°gas | -165.50 ± 2.70 | kJ/mol | NIST |
| ΔfusH° | 7.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.00 ± 0.30 | kJ/mol | NIST |
| IE | [8.73; 8.89] | eV |
|
| IE | 8.74 ± 0.01 | eV | NIST |
| IE | 8.73 ± 0.01 | eV | NIST |
| IE | 8.89 | eV | NIST |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 3.635 | Crippen Calculated Property | |
| McVol | 147.460 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Tboil | [398.30; 398.30] | K |
|
| Tboil | 398.30 ± 0.60 | K | NIST |
| Tboil | 398.30 ± 0.50 | K | NIST |
| Tboil | 398.30 ± 4.00 | K | NIST |
| Tc | 618.91 | K | Joback Calculated Property |
| Tfus | [268.00; 268.40] | K |
|
| Tfus | 268.40 ± 0.40 | K | NIST |
| Tfus | 268.40 ± 0.50 | K | NIST |
| Tfus | 268.00 ± 4.00 | K | NIST |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.83; 397.07] | J/mol×K | [425.90; 618.91] |
|
| Cp,gas | 303.83 | J/mol×K | 425.90 | Joback Calculated Property |
| Cp,gas | 321.95 | J/mol×K | 458.07 | Joback Calculated Property |
| Cp,gas | 338.96 | J/mol×K | 490.24 | Joback Calculated Property |
| Cp,gas | 354.91 | J/mol×K | 522.41 | Joback Calculated Property |
| Cp,gas | 369.87 | J/mol×K | 554.58 | Joback Calculated Property |
| Cp,gas | 383.91 | J/mol×K | 586.75 | Joback Calculated Property |
| Cp,gas | 397.07 | J/mol×K | 618.91 | Joback Calculated Property |
| η | [0.0002185; 0.0185097] | Pa×s | [202.22; 425.90] |
|
| η | 0.0185097 | Pa×s | 202.22 | Joback Calculated Property |
| η | 0.0049656 | Pa×s | 239.50 | Joback Calculated Property |
| η | 0.0018988 | Pa×s | 276.78 | Joback Calculated Property |
| η | 0.0009122 | Pa×s | 314.06 | Joback Calculated Property |
| η | 0.0005120 | Pa×s | 351.34 | Joback Calculated Property |
| η | 0.0003211 | Pa×s | 388.62 | Joback Calculated Property |
| η | 0.0002185 | Pa×s | 425.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-1,2-di-tert-butylethylene.
Sources
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