- InChI
- InChI=1S/C12H24/c1-9(11(3,4)5)10(2)12(6,7)8/h1-8H3/b10-9-
- InChI Key
- UKVHFKANOLLXHC-KTKRTIGZSA-N
- Formula
- C12H24
- SMILES
- CC(=C(C)C(C)(C)C)C(C)(C)C
- Molecular Weight1
- 168.32
- CAS
- 54429-93-5
- 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 | 0.3116 | Relay (... Calculated Property | |
| ΔfG° | 118.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.10 | kJ/mol | NIST |
| ΔfusH° | 9.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.26 | eV | Relay (... Calculated Property |
| log10WS | -5.49 | Relay (... Calculated Property | |
| logPoct/wat | 4.415 | Crippen Calculated Property | |
| McVol | 175.640 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Tboil | 452.92 | K | Relay (... Calculated Property |
| Tc | 635.08 | K | Relay (... Calculated Property |
| Tfus | 265.04 | K | Relay (... Calculated Property |
| Vc | 0.642 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.10; 498.67] | J/mol×K | [471.42; 667.75] | 
|
| Cp,gas | 395.10 | J/mol×K | 471.42 | Joback Calculated Property |
| Cp,gas | 415.17 | J/mol×K | 504.14 | Joback Calculated Property |
| Cp,gas | 434.03 | J/mol×K | 536.86 | Joback Calculated Property |
| Cp,gas | 451.74 | J/mol×K | 569.58 | Joback Calculated Property |
| Cp,gas | 468.37 | J/mol×K | 602.31 | Joback Calculated Property |
| Cp,gas | 483.99 | J/mol×K | 635.03 | Joback Calculated Property |
| Cp,gas | 498.67 | J/mol×K | 667.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z) 2,3-Di-tert-butyl-2-butene.
Sources
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