- InChI
- InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6+
- InChI Key
- SSJXIUAHEKJCMH-OLQVQODUSA-N
- Formula
- C6H14N2
- SMILES
- NC1CCCCC1N
- Molecular Weight1
- 114.19
- CAS
- 1436-59-5
- Other Names
-
- cis-1,2-Cyclohexandiamine
- 1,2-Cyclohexanediamine, cis-
- cis-1,2-Diaminocyclohexane
- meso-1,2-Cyclohexanediamine
- (R)(S)-1,2-Diaminocyclohexane
- 1,2-Cyclohexanediamine, (1R,2S)-rel-
- 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° | 62.20 ± 1.00 | kJ/mol | NIST |
| 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.66; 392.55] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.92500e+01 | |||
| Coefficient B | 7.93200e-01 | |||
| Coefficient C | -4.15000e-04 | |||
| Coefficient D | 6.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 137.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 222.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 289.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 317.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 341.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 361.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 378.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.55 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-1,2-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
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