- InChI
- InChI=1S/C12H15NO/c1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h4-7H,2-3,8,10H2,1H3
- InChI Key
- SKTHXBXIQFAXPC-UHFFFAOYSA-N
- Formula
- C12H15NO
- SMILES
- CCCCOc1ccc(CC#N)cc1
- Molecular Weight1
- 189.25
- CAS
- 38746-93-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6442 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.932 | Crippen Calculated Property | |
| McVol | 163.430 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Tboil | 580.66 | K | Relay (1.0) Calculated Property |
| Tc | 786.42 | K | Relay (1.0) Calculated Property |
| Tfus | 298.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.16; 476.45] | J/mol×K | [630.12; 844.01] | 
|
| Cp,gas | 406.16 | J/mol×K | 630.12 | Joback Calculated Property |
| Cp,gas | 419.77 | J/mol×K | 665.77 | Joback Calculated Property |
| Cp,gas | 432.60 | J/mol×K | 701.42 | Joback Calculated Property |
| Cp,gas | 444.66 | J/mol×K | 737.06 | Joback Calculated Property |
| Cp,gas | 455.98 | J/mol×K | 772.71 | Joback Calculated Property |
| Cp,gas | 466.57 | J/mol×K | 808.36 | Joback Calculated Property |
| Cp,gas | 476.45 | J/mol×K | 844.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butoxyphenylacetonitrile.
Sources
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