- InChI
- InChI=1S/C15H21NO/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11H,2-7,12H2,1H3
- InChI Key
- GFNSBTARZPEIPN-UHFFFAOYSA-N
- Formula
- C15H21NO
- SMILES
- CCCCCCCCOc1ccc(C#N)cc1
- Molecular Weight1
- 231.33
- CAS
- 88374-55-4
- Other Names
-
- 4-n-Octyloxybenzonitrile
- Benzonitrile, 4-(octyloxy)-
- 4-octyloxybenzonitrile
- 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° | 206.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.298 | Crippen Calculated Property | |
| McVol | 205.700 | ml/mol | McGowan Calculated Property |
| Pc | 1759.49 | kPa | Joback Calculated Property |
| Tboil | 698.76 | K | Joback Calculated Property |
| Tc | 903.47 | K | Joback Calculated Property |
| Tfus | 384.97 | K | Joback Calculated Property |
| Vc | 0.811 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [560.59; 639.28] | J/mol×K | [698.76; 903.47] | 
|
| Cp,gas | 560.59 | J/mol×K | 698.76 | Joback Calculated Property |
| Cp,gas | 575.83 | J/mol×K | 732.88 | Joback Calculated Property |
| Cp,gas | 590.18 | J/mol×K | 767.00 | Joback Calculated Property |
| Cp,gas | 603.68 | J/mol×K | 801.12 | Joback Calculated Property |
| Cp,gas | 616.35 | J/mol×K | 835.23 | Joback Calculated Property |
| Cp,gas | 628.21 | J/mol×K | 869.35 | Joback Calculated Property |
| Cp,gas | 639.28 | J/mol×K | 903.47 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 445.00 ± 1.00 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to p-Octyloxybenzonitrile.
Sources
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