- InChI
- InChI=1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3
- InChI Key
- LVPZSMIBSMMLPI-UHFFFAOYSA-N
- Formula
- C6H12N2
- SMILES
- CCN(CC)CC#N
- Molecular Weight1
- 112.17
- CAS
- 3010-02-4
- Other Names
-
- Diethylaminoacetonitrile
- Acetonitrile, (diethylamino)-
- Glycinonitrile, N,N-diethyl-
- N,N-Diethylaminoacetonitrile
- Nitril kiseliny diethylaminooctove
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4119 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4092.15 ± 0.85 | kJ/mol | NIST |
| ΔfG° | 243.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 66.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | 16.10 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 15.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [49.90; 49.93] | kJ/mol |
|
| ΔvapH° | 49.93 ± 0.27 | kJ/mol | NIST |
| ΔvapH° | 49.90 | kJ/mol | NIST |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.852 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | 912.00 | NIST | |
| Tboil | 443.20 | K | NIST |
| Tc | 618.57 | K | Relay (1.0) Calculated Property |
| Tfus | 204.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.32; 274.63] | J/mol×K | [451.20; 638.03] |
|
| Cp,gas | 219.32 | J/mol×K | 451.20 | Joback Calculated Property |
| Cp,gas | 229.70 | J/mol×K | 482.34 | Joback Calculated Property |
| Cp,gas | 239.60 | J/mol×K | 513.48 | Joback Calculated Property |
| Cp,gas | 249.03 | J/mol×K | 544.61 | Joback Calculated Property |
| Cp,gas | 258.00 | J/mol×K | 575.75 | Joback Calculated Property |
| Cp,gas | 266.53 | J/mol×K | 606.89 | Joback Calculated Property |
| Cp,gas | 274.63 | J/mol×K | 638.03 | Joback Calculated Property |
| ΔvapH | 49.90 ± 0.30 | kJ/mol | 300.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 343.20 | K | 3.20 | NIST |
Similar Compounds
Find more compounds similar to 2-(Diethylamino)acetonitrile.
Sources
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