- InChI
- InChI=1S/C19H30O2/c1-2-3-4-5-6-12-17-21-19(20)16-11-10-15-18-13-8-7-9-14-18/h7-9,13-14H,2-6,10-12,15-17H2,1H3
- InChI Key
- FKKIRYZQILFFFD-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 290.44
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -12.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 5.303 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1408.01 | kPa | Joback Calculated Property |
| Inp | [2197.00; 2197.00] |
|
|
| Inp | 2197.00 | NIST | |
| Inp | 2197.00 | NIST | |
| Tboil | 737.09 | K | Joback Calculated Property |
| Tc | 928.11 | K | Joback Calculated Property |
| Tfus | 402.47 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.05; 861.65] | J/mol×K | [737.09; 928.11] |
|
| Cp,gas | 768.05 | J/mol×K | 737.09 | Joback Calculated Property |
| Cp,gas | 786.09 | J/mol×K | 768.93 | Joback Calculated Property |
| Cp,gas | 803.11 | J/mol×K | 800.76 | Joback Calculated Property |
| Cp,gas | 819.14 | J/mol×K | 832.60 | Joback Calculated Property |
| Cp,gas | 834.22 | J/mol×K | 864.43 | Joback Calculated Property |
| Cp,gas | 848.38 | J/mol×K | 896.27 | Joback Calculated Property |
| Cp,gas | 861.65 | J/mol×K | 928.11 | Joback Calculated Property |
| η | [0.0000845; 0.0014187] | Pa×s | [402.47; 737.09] |
|
| η | 0.0014187 | Pa×s | 402.47 | Joback Calculated Property |
| η | 0.0006659 | Pa×s | 458.24 | Joback Calculated Property |
| η | 0.0003683 | Pa×s | 514.01 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 569.78 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 625.55 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 681.32 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 737.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, octyl ester.
Sources
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