- InChI
- InChI=1S/C14H28/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-
- InChI Key
- IBTCQHAOKZFUES-HAQNSBGRSA-N
- Formula
- C14H28
- SMILES
- CC(C)(C)C1CCC(C(C)(C)C)CC1
- Molecular Weight1
- 196.37
- CAS
- 4789-35-9
- Other Names
-
- trans-1,4-Bis(1,1-dimethylethyl)-cyclo
- Trans-1,4-bis(1,1-dimethylethyl)cyclohexane
- ΔcH°solid : Standard solid 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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°solid | -9108.90 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 89.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 4.885 | Crippen Calculated Property | |
| McVol | 197.260 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Tboil | 528.14 | K | Joback Calculated Property |
| Tc | 739.34 | K | Joback Calculated Property |
| Tfus | 255.52 | K | Joback Calculated Property |
| Vc | 0.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.98; 632.76] | J/mol×K | [528.14; 739.34] | 
|
| Cp,gas | 501.98 | J/mol×K | 528.14 | Joback Calculated Property |
| Cp,gas | 527.45 | J/mol×K | 563.34 | Joback Calculated Property |
| Cp,gas | 551.35 | J/mol×K | 598.54 | Joback Calculated Property |
| Cp,gas | 573.76 | J/mol×K | 633.74 | Joback Calculated Property |
| Cp,gas | 594.75 | J/mol×K | 668.94 | Joback Calculated Property |
| Cp,gas | 614.39 | J/mol×K | 704.14 | Joback Calculated Property |
| Cp,gas | 632.76 | J/mol×K | 739.34 | Joback Calculated Property |
| η | [0.0001934; 0.0106922] | Pa×s | [255.52; 528.14] |
|
| η | 0.0106922 | Pa×s | 255.52 | Joback Calculated Property |
| η | 0.0033065 | Pa×s | 300.96 | Joback Calculated Property |
| η | 0.0013912 | Pa×s | 346.39 | Joback Calculated Property |
| η | 0.0007155 | Pa×s | 391.83 | Joback Calculated Property |
| η | 0.0004225 | Pa×s | 437.27 | Joback Calculated Property |
| η | 0.0002755 | Pa×s | 482.70 | Joback Calculated Property |
| η | 0.0001934 | Pa×s | 528.14 | Joback Calculated Property |
| ΔfusH | [17.15; 17.15] | kJ/mol | [363.20; 363.20] |
|
| ΔfusH | 17.15 | kJ/mol | 363.20 | NIST |
| ΔfusH | 17.15 | kJ/mol | 363.20 | NIST |
Similar Compounds
Find more compounds similar to trans-1,4-Di-tert-butyl-cyclohexane.
Sources
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