- InChI
- InChI=1S/C6H14N2/c1-6-4-7-2-3-8-5-6/h6-8H,2-5H2,1H3
- InChI Key
- VMJOIXFVKVPLRQ-UHFFFAOYSA-N
- Formula
- C6H14N2
- SMILES
- CC1CNCCNC1
- Molecular Weight1
- 114.19
- CAS
- 89582-17-2
- 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).
- 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° | 187.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -43.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.07 | kJ/mol | Joback Calculated Property |
| log10WS | -0.37 | Crippen Calculated Property | |
| logPoct/wat | -0.185 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 457.60 | K | Joback Calculated Property |
| Tc | 688.59 | K | Joback Calculated Property |
| Tfus | 371.30 | K | Joback Calculated Property |
| Vc | 0.370 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.63; 303.81] | J/mol×K | [457.60; 688.59] | 
|
| Cp,gas | 214.63 | J/mol×K | 457.60 | Joback Calculated Property |
| Cp,gas | 231.41 | J/mol×K | 496.10 | Joback Calculated Property |
| Cp,gas | 247.44 | J/mol×K | 534.60 | Joback Calculated Property |
| Cp,gas | 262.70 | J/mol×K | 573.09 | Joback Calculated Property |
| Cp,gas | 277.19 | J/mol×K | 611.59 | Joback Calculated Property |
| Cp,gas | 290.90 | J/mol×K | 650.09 | Joback Calculated Property |
| Cp,gas | 303.81 | J/mol×K | 688.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6H-1,4-diazepine, hexahydro-6-methyl-.
Sources
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