- InChI
- InChI=1S/C12H13N3/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,10-11H2
- InChI Key
- NSVHSAUVIFTVPN-UHFFFAOYSA-N
- Formula
- C12H13N3
- SMILES
- N#CCCN(CCC#N)c1ccccc1
- Molecular Weight1
- 199.25
- CAS
- 1555-66-4
- Other Names
-
- N,N-Bis-cyanoethylaniline
- N,N-Bis(2-cyanoethyl)aniline
- Propanenitrile, 3,3'-(phenylimino)bis-
- («beta»-Cyanoethyl)benzylamine
- Aniline, N,N-bis(2-cyanoethyl)-
- Aniline, N,N-dicyanoethyl-
- Bis(2-cyanoethyl)phenylamine
- N,N-Bis(«beta»-cyanoethyl)aniline
- Propionitrile, 3,3'-(phenylimino)di-
- NSC 108353
- 3,3'-(phenylimino)bispropiononitrile
- 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).
- 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 | 0.6613 | Relay (1.0) Calculated Property | |
| ΔfG° | 539.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 308.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.320 | Crippen Calculated Property | |
| McVol | 168.920 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Tboil | 607.76 | K | Relay (1.0) Calculated Property |
| Tc | 846.51 | K | Relay (1.0) Calculated Property |
| Tfus | 341.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.97; 499.72] | J/mol×K | [717.24; 942.07] | 
|
| Cp,gas | 441.97 | J/mol×K | 717.24 | Joback Calculated Property |
| Cp,gas | 453.50 | J/mol×K | 754.71 | Joback Calculated Property |
| Cp,gas | 464.19 | J/mol×K | 792.18 | Joback Calculated Property |
| Cp,gas | 474.11 | J/mol×K | 829.65 | Joback Calculated Property |
| Cp,gas | 483.29 | J/mol×K | 867.13 | Joback Calculated Property |
| Cp,gas | 491.81 | J/mol×K | 904.60 | Joback Calculated Property |
| Cp,gas | 499.72 | J/mol×K | 942.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3'-(Phenylimino)dipropionitrile.
Sources
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