- InChI
- InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
- InChI Key
- ZAXCZCOUDLENMH-UHFFFAOYSA-N
- Formula
- C9H24N4
- SMILES
- NCCCNCCCNCCCN
- Molecular Weight1
- 188.31
- CAS
- 4605-14-5
- Other Names
-
- N,N'-Bis(3-aminopropyl)-1,3-propanediamine
- 1,5,9,13-Tetraazatridecane
- N,N'-bis(3-aminopropyl)propane-1,3-diamine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ΔfusH° | 39.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.747 | Crippen Calculated Property | |
| McVol | 177.590 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Tboil | 576.78 | K | Relay (1.0) Calculated Property |
| Tc | 767.07 | K | Relay (1.0) Calculated Property |
| Tfus | 270.73 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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 | [506.96; 582.42] | J/mol×K | [650.72; 839.79] | 
|
| Cp,gas | 506.96 | J/mol×K | 650.72 | Joback Calculated Property |
| Cp,gas | 521.26 | J/mol×K | 682.23 | Joback Calculated Property |
| Cp,gas | 534.84 | J/mol×K | 713.74 | Joback Calculated Property |
| Cp,gas | 547.72 | J/mol×K | 745.25 | Joback Calculated Property |
| Cp,gas | 559.93 | J/mol×K | 776.76 | Joback Calculated Property |
| Cp,gas | 571.49 | J/mol×K | 808.28 | Joback Calculated Property |
| Cp,gas | 582.42 | J/mol×K | 839.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.70 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Propanediamine, N,N'-bis(3-aminopropyl)-.
Sources
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