- InChI
- InChI=1S/C11H13N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9H,7H2,1-2H3
- InChI Key
- RIPHZOPMCRSGSI-UHFFFAOYSA-N
- Formula
- C11H13N
- SMILES
- CC(C)c1ccc(CC#N)cc1
- Molecular Weight1
- 159.23
- CAS
- 4395-87-3
- 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° | 275.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 114.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.876 | Crippen Calculated Property | |
| McVol | 143.470 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Tboil | 584.38 | K | Joback Calculated Property |
| Tc | 809.46 | K | Joback Calculated Property |
| Tfus | 302.66 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.15; 402.97] | J/mol×K | [584.38; 809.46] | 
|
| Cp,gas | 334.15 | J/mol×K | 584.38 | Joback Calculated Property |
| Cp,gas | 347.60 | J/mol×K | 621.89 | Joback Calculated Property |
| Cp,gas | 360.22 | J/mol×K | 659.41 | Joback Calculated Property |
| Cp,gas | 372.02 | J/mol×K | 696.92 | Joback Calculated Property |
| Cp,gas | 383.06 | J/mol×K | 734.43 | Joback Calculated Property |
| Cp,gas | 393.36 | J/mol×K | 771.94 | Joback Calculated Property |
| Cp,gas | 402.97 | J/mol×K | 809.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropylphenylacetonitrile.
Sources
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