- InChI
- InChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
- InChI Key
- GRPFZJNUYXIVSL-UHFFFAOYSA-N
- Formula
- C10H8N2
- SMILES
- N#CCc1cccc(CC#N)c1
- Molecular Weight1
- 156.18
- CAS
- 626-22-2
- Other Names
-
- m-Benzenediacetonitrile
- m-Bis(cyanomethyl)benzene
- m-Phenylenediacetonitrile
- 1,3-Phenylenediacetonitrile
- 1,3-Bis(cyanomethyl)benzene
- m-Xylylene dicyanide
- Acetonitrile, m-phenylenedi-
- (3-Cyanomethyl-phenyl)-acetonitrile
- NSC 77095
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 402.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 305.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 1.819 | Crippen Calculated Property | |
| McVol | 130.760 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Tboil | 664.02 | K | Joback Calculated Property |
| Tc | 902.09 | K | Joback Calculated Property |
| Tfus | 371.38 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.87; 352.75] | J/mol×K | [664.02; 902.09] | 
|
| Cp,gas | 304.87 | J/mol×K | 664.02 | Joback Calculated Property |
| Cp,gas | 314.46 | J/mol×K | 703.70 | Joback Calculated Property |
| Cp,gas | 323.36 | J/mol×K | 743.38 | Joback Calculated Property |
| Cp,gas | 331.60 | J/mol×K | 783.05 | Joback Calculated Property |
| Cp,gas | 339.22 | J/mol×K | 822.73 | Joback Calculated Property |
| Cp,gas | 346.26 | J/mol×K | 862.41 | Joback Calculated Property |
| Cp,gas | 352.75 | J/mol×K | 902.09 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 443.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Benzenediacetonitrile.
Sources
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