- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 39.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.91 | 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 | 768.54 | K | Relay (1.0) Calculated Property |
| Tfus | 271.61 | 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.70 | K | 0.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.52; 629.37] | 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 | 5.26900e+00 | |||
| Coefficient B | 1.13500e+00 | |||
| Coefficient C | -6.49800e-04 | |||
| Coefficient D | 1.38900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 269.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 331.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 387.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 436.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 480.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 518.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 552.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 581.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 607.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 629.37 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediamine, N,N'-bis(3-aminopropyl)-.
Sources
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