- InChI
- InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3
- InChI Key
- PLXBWEPPAAQASG-UHFFFAOYSA-N
- Formula
- C4H8N2
- SMILES
- CN(C)CC#N
- Molecular Weight1
- 84.12
- CAS
- 926-64-7
- Other Names
-
- (Dimethylamino)acetonitrile
- N-(Cyanomethyl)dimethylamine
- (CH3)2NCH2CN
- Glycinonitrile, N,N-dimethyl-
- 2-Dimethylaminoacetonitrile
- UN 2378
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| PAff | 884.50 | kJ/mol | NIST |
| BasG | 853.70 | kJ/mol | NIST |
| ΔcH°liquid | -2786.38 ± 0.41 | kJ/mol | NIST |
| ΔfG° | 226.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 114.39 ± 0.75 | kJ/mol | NIST |
| ΔfH°liquid | 69.00 ± 0.50 | kJ/mol | NIST |
| ΔfusH° | 10.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [45.40; 45.40] | kJ/mol |
|
| ΔvapH° | 45.40 ± 0.59 | kJ/mol | NIST |
| ΔvapH° | 45.40 | kJ/mol | NIST |
| IE | [8.72; 8.86] | eV |
|
| IE | 8.86 | eV | NIST |
| IE | 8.72 ± 0.03 | eV | NIST |
| IE | 8.72 ± 0.05 | eV | NIST |
| log10WS | 0.07 | Crippen Calculated Property | |
| logPoct/wat | 0.072 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Inp | [712.00; 714.00] |
|
|
| Inp | 712.00 | NIST | |
| Inp | 714.00 | NIST | |
| I | [1243.00; 1244.00] |
|
|
| I | 1243.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1244.00 | NIST | |
| I | 1243.00 | NIST | |
| Tboil | 410.70 | K | NIST |
| Tc | 595.61 | K | Joback Calculated Property |
| Tfus | 232.30 | K | Joback Calculated Property |
| Vc | 0.303 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.21; 185.71] | J/mol×K | [405.44; 595.61] |
|
| Cp,gas | 144.21 | J/mol×K | 405.44 | Joback Calculated Property |
| Cp,gas | 152.02 | J/mol×K | 437.13 | Joback Calculated Property |
| Cp,gas | 159.46 | J/mol×K | 468.83 | Joback Calculated Property |
| Cp,gas | 166.53 | J/mol×K | 500.52 | Joback Calculated Property |
| Cp,gas | 173.26 | J/mol×K | 532.22 | Joback Calculated Property |
| Cp,gas | 179.64 | J/mol×K | 563.91 | Joback Calculated Property |
| Cp,gas | 185.71 | J/mol×K | 595.61 | Joback Calculated Property |
| ΔvapH | 45.40 ± 0.60 | kJ/mol | 292.00 | NIST |
Similar Compounds
Find more compounds similar to Acetonitrile, (dimethylamino)-.
Sources
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