- 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
- ω : Acentric Factor.
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.5852 | Relay (1.0) Calculated Property | |
| ΔfG° | 355.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 175.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.403 | Crippen Calculated Property | |
| McVol | 108.140 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Tboil | 569.00 | K | Relay (1.0) Calculated Property |
| Tc | 725.95 | 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 |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.29; 290.44] | J/mol×K | [591.01; 799.30] |
|
| Cp,gas | 248.29 | J/mol×K | 591.01 | Joback Calculated Property |
| Cp,gas | 256.35 | J/mol×K | 625.72 | Joback Calculated Property |
| Cp,gas | 263.98 | J/mol×K | 660.44 | Joback Calculated Property |
| Cp,gas | 271.19 | J/mol×K | 695.15 | Joback Calculated Property |
| Cp,gas | 277.99 | J/mol×K | 729.87 | Joback Calculated Property |
| Cp,gas | 284.41 | J/mol×K | 764.58 | Joback Calculated Property |
| Cp,gas | 290.44 | J/mol×K | 799.30 | Joback Calculated Property |
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 |
Similar Compounds
Find more compounds similar to Propanenitrile, 3,3'-iminobis-.
Sources
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