- InChI
- InChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3
- InChI Key
- HCELORQTHSKCQL-UHFFFAOYSA-N
- Formula
- C10H11N
- SMILES
- Cc1ccc(C)c(CC#N)c1
- Molecular Weight1
- 145.20
- CAS
- 16213-85-7
- Other Names
-
- 2,5-Xylylacetonitrile
- 2,5-Dimethylphenylacetonitrile
- Benzeneacetonitrile, 2,5-dimethyl-
- Acetonitrile, (2,5-xylyl)-
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -5563.00 | kJ/mol | NIST |
| ΔfG° | 259.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 128.74 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 46.00 | kJ/mol | NIST |
| ΔfusH° | 16.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.370 | Crippen Calculated Property | |
| McVol | 129.380 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Tboil | 566.92 | K | Joback Calculated Property |
| Tc | 792.35 | K | Joback Calculated Property |
| Tfus | 301.00 ± 3.00 | K | NIST |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.99; 348.66] | J/mol×K | [566.92; 792.35] | 
|
| Cp,gas | 286.99 | J/mol×K | 566.92 | Joback Calculated Property |
| Cp,gas | 298.92 | J/mol×K | 604.49 | Joback Calculated Property |
| Cp,gas | 310.17 | J/mol×K | 642.06 | Joback Calculated Property |
| Cp,gas | 320.73 | J/mol×K | 679.64 | Joback Calculated Property |
| Cp,gas | 330.66 | J/mol×K | 717.21 | Joback Calculated Property |
| Cp,gas | 339.96 | J/mol×K | 754.78 | Joback Calculated Property |
| Cp,gas | 348.66 | J/mol×K | 792.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethylbenzyl cyanide.
Sources
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