- 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)cyclohexane
- trans-1,4-Bis(1,1-dimethylethyl)-cyclo
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3495 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -9108.90 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | -237.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) 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 | 510.99 | K | Relay (1.0) Calculated Property |
| Tc | 701.79 | K | Relay (1.0) Calculated Property |
| Tfus | 378.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.13; 632.90] | J/mol×K | [528.34; 739.62] | 
|
| Cp,gas | 502.13 | J/mol×K | 528.34 | Joback Calculated Property |
| Cp,gas | 527.60 | J/mol×K | 563.55 | Joback Calculated Property |
| Cp,gas | 551.50 | J/mol×K | 598.77 | Joback Calculated Property |
| Cp,gas | 573.91 | J/mol×K | 633.98 | Joback Calculated Property |
| Cp,gas | 594.90 | J/mol×K | 669.19 | Joback Calculated Property |
| Cp,gas | 614.53 | J/mol×K | 704.40 | Joback Calculated Property |
| Cp,gas | 632.90 | J/mol×K | 739.62 | Joback Calculated Property |
| η | [0.0001931; 0.0106922] | Pa×s | [255.52; 528.34] |
|
| η | 0.0106922 | Pa×s | 255.52 | Joback Calculated Property |
| η | 0.0033041 | Pa×s | 300.99 | Joback Calculated Property |
| η | 0.0013896 | Pa×s | 346.46 | Joback Calculated Property |
| η | 0.0007145 | Pa×s | 391.93 | Joback Calculated Property |
| η | 0.0004219 | Pa×s | 437.40 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 482.87 | Joback Calculated Property |
| η | 0.0001931 | Pa×s | 528.34 | 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 |
| 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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