- InChI
- InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
- InChI Key
- SSJXIUAHEKJCMH-PHDIDXHHSA-N
- Formula
- C6H14N2
- SMILES
- NC1CCCCC1N
- Molecular Weight1
- 114.19
- CAS
- 21436-03-3
- Other Names
-
- (+)-S,S-1,2-Diaminocyclohexane
- (-)-(1R,2R)-diaminocyclohexane
- (-)-trans-1,2-cyclohexanediamine
- (1R,2R)-1,2-cyclohexanediamine
- (1R,2R)-cyclohexane-1,2-diamine
- (R,R)-DACH
- 1,2-Cyclohexanediamine, (1S,2S)-
- SS-Jacobsen Catalyst 2
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | -73.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.215 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Tboil | 457.65 | K | Relay (1.0) Calculated Property |
| Tc | 668.84 | K | Relay (1.0) Calculated Property |
| Tfus | 288.17 | 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.20 | K | 5.30 | NIST |
Similar Compounds
Find more compounds similar to (1S,2S)-(+)-1,2-Diaminocyclohexane.
Mixtures
- (1S,2S)-(+)-1,2-Diaminocyclohexane + 1-Propanol, 2-methyl- + Water
- 1-Butanol, 3-methyl- + (1S,2S)-(+)-1,2-Diaminocyclohexane + Water
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
- Measurement and thermodynamic modelling of ternary liquid-liquid equilibrium for extraction of (1R,2R)-(-)-1,2-Diaminocyclohexane from aqueous solution with C4-C5 alcohols at different temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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