- InChI
- InChI=1S/C6H6N4/c7-1-4-10(5-2-8)6-3-9/h4-6H2
- InChI Key
- LJAIDEYQVIJERM-UHFFFAOYSA-N
- Formula
- C6H6N4
- SMILES
- N#CCN(CC#N)CC#N
- Molecular Weight1
- 134.14
- CAS
- 7327-60-8
- Other Names
-
- nitrilotriacetonitrile
- 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).
- 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° | 509.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 395.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.43 | kJ/mol | Joback Calculated Property |
| log10WS | -0.50 | Crippen Calculated Property | |
| logPoct/wat | -0.141 | Crippen Calculated Property | |
| McVol | 109.520 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Tboil | 655.36 | K | Joback Calculated Property |
| Tc | 874.80 | K | Joback Calculated Property |
| Tfus | 384.82 | K | Joback Calculated Property |
| Vc | 0.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.57; 283.10] | J/mol×K | [655.36; 874.80] | 
|
| Cp,gas | 250.57 | J/mol×K | 655.36 | Joback Calculated Property |
| Cp,gas | 256.97 | J/mol×K | 691.93 | Joback Calculated Property |
| Cp,gas | 262.96 | J/mol×K | 728.51 | Joback Calculated Property |
| Cp,gas | 268.54 | J/mol×K | 765.08 | Joback Calculated Property |
| Cp,gas | 273.74 | J/mol×K | 801.65 | Joback Calculated Property |
| Cp,gas | 278.58 | J/mol×K | 838.23 | Joback Calculated Property |
| Cp,gas | 283.10 | J/mol×K | 874.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, nitrilotri-.
Sources
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