- 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).
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ΔfG° | 149.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -65.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.35 | kJ/mol | Joback Calculated Property |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 0.215 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Tboil | 454.20 | K | NIST |
| Tc | 730.03 | K | Joback Calculated Property |
| Tfus | 327.04 | K | Joback Calculated Property |
| Vc | 0.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.11; 333.38] | J/mol×K | [496.62; 730.03] | 
|
| Cp,gas | 250.11 | J/mol×K | 496.62 | Joback Calculated Property |
| Cp,gas | 266.28 | J/mol×K | 535.52 | Joback Calculated Property |
| Cp,gas | 281.50 | J/mol×K | 574.42 | Joback Calculated Property |
| Cp,gas | 295.80 | J/mol×K | 613.32 | Joback Calculated Property |
| Cp,gas | 309.20 | J/mol×K | 652.22 | Joback Calculated Property |
| Cp,gas | 321.72 | J/mol×K | 691.13 | Joback Calculated Property |
| Cp,gas | 333.38 | J/mol×K | 730.03 | Joback Calculated Property |
| ΔvapH | 48.20 | kJ/mol | 428.00 | NIST |
Similar Compounds
Find more compounds similar to trans-1,4-Cyclohexanediamine.
Sources
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