- InChI
- InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3
- InChI Key
- LFFKXGFSDGRFQA-UHFFFAOYSA-N
- Formula
- C7H14N2
- SMILES
- CCN(CC)CCC#N
- Molecular Weight1
- 126.20
- CAS
- 5351-04-2
- Other Names
-
- Propionitrile, 3-(diethylamino)-
- N-(2-Cyanoethyl)diethylamine
- 3-(Diethylamino)propionitrile
- 3-(Diethylamino)propanenitrile
- 3-diethylaminopropiononitrile
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 252.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 44.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.70 | kJ/mol | Joback Calculated Property |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 1.242 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 474.08 | K | Joback Calculated Property |
| Tc | 659.05 | K | Joback Calculated Property |
| Tfus | [213.25; 213.65] | K |
|
| Tfus | 213.25 ± 0.30 | K | NIST |
| Tfus | 213.65 ± 0.20 | K | NIST |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.17; 321.36] | J/mol×K | [474.08; 659.05] |
|
| Cp,gas | 260.17 | J/mol×K | 474.08 | Joback Calculated Property |
| Cp,gas | 271.65 | J/mol×K | 504.91 | Joback Calculated Property |
| Cp,gas | 282.59 | J/mol×K | 535.74 | Joback Calculated Property |
| Cp,gas | 293.01 | J/mol×K | 566.57 | Joback Calculated Property |
| Cp,gas | 302.94 | J/mol×K | 597.39 | Joback Calculated Property |
| Cp,gas | 312.38 | J/mol×K | 628.22 | Joback Calculated Property |
| Cp,gas | 321.36 | J/mol×K | 659.05 | Joback Calculated Property |
| ΔvapH | 53.70 | kJ/mol | 404.00 | NIST |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-(diethylamino)-.
Sources
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