- InChI
- InChI=1S/C15H19NO2/c1-2-3-4-5-6-7-15(17)18-14-10-8-13(12-16)9-11-14/h8-11H,2-7H2,1H3
- InChI Key
- XRSCWCVKLXEFJB-UHFFFAOYSA-N
- Formula
- C15H19NO2
- SMILES
- CCCCCCCC(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 245.32
- CAS
- 93777-17-4
- Other Names
-
- 4-cyanophenyl octanoate
- 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).
- Inp : Non-polar retention indices.
- 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° | 77.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 3.824 | Crippen Calculated Property | |
| McVol | 207.270 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | [1935.00; 1935.00] |
|
|
| Inp | 1935.00 | NIST | |
| Inp | 1935.00 | NIST | |
| Tboil | 752.63 | K | Joback Calculated Property |
| Tc | 963.66 | K | Joback Calculated Property |
| Tfus | 434.90 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.27; 646.65] | J/mol×K | [752.63; 963.66] |
|
| Cp,gas | 577.27 | J/mol×K | 752.63 | Joback Calculated Property |
| Cp,gas | 591.00 | J/mol×K | 787.80 | Joback Calculated Property |
| Cp,gas | 603.83 | J/mol×K | 822.97 | Joback Calculated Property |
| Cp,gas | 615.79 | J/mol×K | 858.15 | Joback Calculated Property |
| Cp,gas | 626.89 | J/mol×K | 893.32 | Joback Calculated Property |
| Cp,gas | 637.17 | J/mol×K | 928.49 | Joback Calculated Property |
| Cp,gas | 646.65 | J/mol×K | 963.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 4-cyanophenyl ester.
Sources
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