- InChI
- InChI=1S/C6H12N2/c1-2-5-8-6-3-4-7/h8H,2-3,5-6H2,1H3
- InChI Key
- MZQXEAUWIMFFCG-UHFFFAOYSA-N
- Formula
- C6H12N2
- SMILES
- CCCNCCC#N
- Molecular Weight1
- 112.17
- CAS
- 7249-87-8
- Other Names
-
- Propionitrile, 3-(propylamino)-
- N-(«beta»-Cyanoethyl)propylamine
- N-Cyanoethyl-N-propylamine
- 3-(Propylamino)propionitrile
- 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).
- 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° | 222.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 51.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.86 | kJ/mol | Joback Calculated Property |
| log10WS | -1.39 | Crippen Calculated Property | |
| logPoct/wat | 0.900 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Tboil | 488.93 | K | Joback Calculated Property |
| Tc | 680.58 | K | Joback Calculated Property |
| Tfus | 275.03 | K | Joback Calculated Property |
| Vc | 0.432 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.14; 283.23] | J/mol×K | [488.93; 680.58] | 
|
| Cp,gas | 230.14 | J/mol×K | 488.93 | Joback Calculated Property |
| Cp,gas | 240.07 | J/mol×K | 520.87 | Joback Calculated Property |
| Cp,gas | 249.55 | J/mol×K | 552.81 | Joback Calculated Property |
| Cp,gas | 258.59 | J/mol×K | 584.76 | Joback Calculated Property |
| Cp,gas | 267.21 | J/mol×K | 616.70 | Joback Calculated Property |
| Cp,gas | 275.42 | J/mol×K | 648.64 | Joback Calculated Property |
| Cp,gas | 283.23 | J/mol×K | 680.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-(propylamino)-.
Sources
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