- 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
- Other Names
-
- 1,1'-Imidodiacetonitrile
- 2406 I.S.
- Acetonitrile, iminodi-
- Di(cianometil)ammina
- Iminodiacetonitrile
- 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° | 61.16 | 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 | 686.11 | K | Relay (1.0) Calculated Property |
| Tfus | 278.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.312 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.28; 215.54] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.20420e+01 | |||
| Coefficient B | 3.29600e-01 | |||
| Coefficient C | -1.80400e-04 | |||
| Coefficient D | 3.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 127.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 144.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 158.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 171.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 183.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 193.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 201.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 209.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 215.54 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, 2,2'-iminobis-.
Sources
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