- InChI
- InChI=1S/C9H12N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2
- InChI Key
- FYYPYNRGACGNNN-UHFFFAOYSA-N
- Formula
- C9H12N4
- SMILES
- N#CCCN(CCC#N)CCC#N
- Molecular Weight1
- 176.22
- CAS
- 7528-78-1
- Other Names
-
- Propionitrile, 3,3',3''-nitrilotri-
- 3,3',3''-Nitrilotripropionitrile
- Amine, tris(2-cyanoethyl)-
- 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).
- IE : Ionization energy (eV).
- 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° | 535.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 333.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.11 | kJ/mol | Joback Calculated Property |
| IE | 10.40 | eV | NIST |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 1.029 | Crippen Calculated Property | |
| McVol | 151.790 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Tboil | 724.00 | K | Joback Calculated Property |
| Tc | 933.67 | K | Joback Calculated Property |
| Tfus | 418.63 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.86; 439.88] | J/mol×K | [724.00; 933.67] | 
|
| Cp,gas | 393.86 | J/mol×K | 724.00 | Joback Calculated Property |
| Cp,gas | 402.80 | J/mol×K | 758.94 | Joback Calculated Property |
| Cp,gas | 411.20 | J/mol×K | 793.89 | Joback Calculated Property |
| Cp,gas | 419.08 | J/mol×K | 828.83 | Joback Calculated Property |
| Cp,gas | 426.46 | J/mol×K | 863.78 | Joback Calculated Property |
| Cp,gas | 433.39 | J/mol×K | 898.72 | Joback Calculated Property |
| Cp,gas | 439.88 | J/mol×K | 933.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3,3',3''-nitrilotris-.
Sources
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