- InChI
- InChI=1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3
- InChI Key
- SDKQOGSGNPGPRN-UHFFFAOYSA-N
- Formula
- C11H13N
- SMILES
- Cc1cc(C)c(CC#N)c(C)c1
- Molecular Weight1
- 159.23
- CAS
- 34688-71-6
- Other Names
-
- 2,4,6-Trimethylphenylacetonitrile
- Benzeneacetonitrile, 2,4,6-trimethyl-
- 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° | 258.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 96.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.678 | Crippen Calculated Property | |
| McVol | 143.470 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Tboil | 594.78 | K | Joback Calculated Property |
| Tc | 817.07 | K | Joback Calculated Property |
| Tfus | 342.70 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.16; 397.84] | J/mol×K | [594.78; 817.07] | 
|
| Cp,gas | 332.16 | J/mol×K | 594.78 | Joback Calculated Property |
| Cp,gas | 344.77 | J/mol×K | 631.83 | Joback Calculated Property |
| Cp,gas | 356.69 | J/mol×K | 668.88 | Joback Calculated Property |
| Cp,gas | 367.93 | J/mol×K | 705.92 | Joback Calculated Property |
| Cp,gas | 378.53 | J/mol×K | 742.97 | Joback Calculated Property |
| Cp,gas | 388.49 | J/mol×K | 780.02 | Joback Calculated Property |
| Cp,gas | 397.84 | J/mol×K | 817.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethylbenzyl cyanide.
Sources
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