- InChI
- InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2
- InChI Key
- BSRDNMMLQYNQQD-UHFFFAOYSA-N
- Formula
- C4H5N3
- SMILES
- N#CCNCC#N
- Molecular Weight1
- 95.10
- CAS
- 628-87-5
- Other Names
-
- Acetonitrile, iminodi-
- Iminodiacetonitrile
- 1,1'-Imidodiacetonitrile
- Di(cianometil)ammina
- 2406 I.S.
- 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 | 0.5148 | Relay (1.0) Calculated Property | |
| ΔfG° | 338.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 244.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.377 | Crippen Calculated Property | |
| McVol | 79.960 | ml/mol | McGowan Calculated Property |
| Pc | 3722.56 | kPa | Joback Calculated Property |
| Tboil | 543.60 | K | Relay (1.0) Calculated Property |
| Tc | 682.47 | K | Relay (1.0) Calculated Property |
| Tfus | 280.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.311 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.68; 193.45] | J/mol×K | [545.25; 760.51] | 
|
| Cp,gas | 163.68 | J/mol×K | 545.25 | Joback Calculated Property |
| Cp,gas | 169.39 | J/mol×K | 581.13 | Joback Calculated Property |
| Cp,gas | 174.79 | J/mol×K | 617.00 | Joback Calculated Property |
| Cp,gas | 179.88 | J/mol×K | 652.88 | Joback Calculated Property |
| Cp,gas | 184.68 | J/mol×K | 688.76 | Joback Calculated Property |
| Cp,gas | 189.21 | J/mol×K | 724.64 | Joback Calculated Property |
| Cp,gas | 193.45 | J/mol×K | 760.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, 2,2'-iminobis-.
Sources
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