- InChI
- InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
- InChI Key
- SBAJRGRUGUQKAF-UHFFFAOYSA-N
- Formula
- C6H9N3
- SMILES
- N#CCCNCCC#N
- Molecular Weight1
- 123.16
- CAS
- 111-94-4
- Other Names
-
- Bis(2-cyanoethyl)amine
- Propionitrile, 3,3'-iminodi-
- «beta»,«beta»'-Iminodipropionitrile
- Bis(«beta»-cyanoethyl)amine
- BBCE
- Di(2-Cyanoethyl)amine
- Ethanamine, 2-cyano-N-(2-cyanoethyl)-
- IDPN
- N,N-Bis(2-Cyanoethyl)amine
- 3,3'-Iminobis(propionitrile)
- 3,3'-Iminobis[propanenitrile]
- 3,3'-Iminodipropionitrile
- HN(CH2CH2CN)2
- Iminodipropionitrile
- Diethylamine, 2,2'-dicyano-
- Imino-«beta»,«beta»'-dipropionitrile
- Iminodipropanenitrile
- USAF A-8564
- 3,3'-Iminodipropanenitrile
- Bis-(2-kyanethyl)amin
- Di(2-cianoetil)ammina
- 2341 I.S.
- NSC 7770
- 3,3'-iminodipropiononitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfH°gas | 175.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.403 | Crippen Calculated Property | |
| McVol | 108.140 | ml/mol | McGowan Calculated Property |
| Tboil | 569.00 | K | Relay (1.0) Calculated Property |
| Tfus | [266.49; 267.45] | K |
|
| Tfus | 267.45 ± 0.30 | K | NIST |
| Tfus | 266.49 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [407.50; 478.20] | K | [0.10; 3.30] |
|
| Tboilr | 408.00 ± 1.00 | K | 0.10 | NIST |
| Tboilr | 407.50 ± 0.50 | K | 0.10 | NIST |
| Tboilr | 478.20 | K | 3.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.70; 318.72] | 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 | 3.02240e+01 | |||
| Coefficient B | 5.19600e-01 | |||
| Coefficient C | -2.89200e-04 | |||
| Coefficient D | 5.81000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 206.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 249.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 267.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 283.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 296.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 308.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 318.72 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3,3'-iminobis-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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