- InChI
- InChI=1S/C20H32O2/c1-2-3-4-5-6-7-13-18-22-20(21)17-12-11-16-19-14-9-8-10-15-19/h8-10,14-15H,2-7,11-13,16-18H2,1H3
- InChI Key
- LDJNXWXWSPXLJO-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
- CCCCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 304.47
- 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° | -3.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.55 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 5.693 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1311.80 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2298.00] |
|
|
| Inp | 2298.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Tboil | 759.97 | K | Joback Calculated Property |
| Tc | 950.54 | K | Joback Calculated Property |
| Tfus | 413.74 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.21; 920.95] | J/mol×K | [759.97; 950.54] |
|
| Cp,gas | 826.21 | J/mol×K | 759.97 | Joback Calculated Property |
| Cp,gas | 844.50 | J/mol×K | 791.73 | Joback Calculated Property |
| Cp,gas | 861.73 | J/mol×K | 823.49 | Joback Calculated Property |
| Cp,gas | 877.96 | J/mol×K | 855.25 | Joback Calculated Property |
| Cp,gas | 893.22 | J/mol×K | 887.02 | Joback Calculated Property |
| Cp,gas | 907.53 | J/mol×K | 918.78 | Joback Calculated Property |
| Cp,gas | 920.95 | J/mol×K | 950.54 | Joback Calculated Property |
| η | [0.0000742; 0.0012920] | Pa×s | [413.74; 759.97] |
|
| η | 0.0012920 | Pa×s | 413.74 | Joback Calculated Property |
| η | 0.0005995 | Pa×s | 471.44 | Joback Calculated Property |
| η | 0.0003289 | Pa×s | 529.15 | Joback Calculated Property |
| η | 0.0002031 | Pa×s | 586.86 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 644.56 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 702.27 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 759.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, nonyl ester.
Sources
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