- InChI
- InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2
- InChI Key
- VKIRRGRTJUUZHS-UHFFFAOYSA-N
- Formula
- C6H14N2
- SMILES
- NC1CCC(N)CC1
- Molecular Weight1
- 114.19
- CAS
- 3114-70-3
- Other Names
-
- 1,4-Diaminocyclohexane
- 1,4-Cyclohexanediamine
- cyclohexane-1,4-diamine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 |
|---|---|---|---|
| ΔfH°gas | -68.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.215 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Tboil | 454.20 | K | NIST |
| Tc | 660.92 | K | Relay (1.0) Calculated Property |
| Tfus | 311.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [250.19; 333.47] | J/mol×K | [496.82; 730.32] | 
|
| Cp,gas | 250.19 | J/mol×K | 496.82 | Joback Calculated Property |
| Cp,gas | 266.37 | J/mol×K | 535.74 | Joback Calculated Property |
| Cp,gas | 281.59 | J/mol×K | 574.65 | Joback Calculated Property |
| Cp,gas | 295.89 | J/mol×K | 613.57 | Joback Calculated Property |
| Cp,gas | 309.29 | J/mol×K | 652.49 | Joback Calculated Property |
| Cp,gas | 321.81 | J/mol×K | 691.40 | Joback Calculated Property |
| Cp,gas | 333.47 | J/mol×K | 730.32 | Joback Calculated Property |
| ΔvapH | 48.20 | kJ/mol | 428.00 | NIST |
Similar Compounds
Find more compounds similar to trans-1,4-Cyclohexanediamine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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