- InChI
- InChI=1S/C15H22O2/c1-13(2)12-17-15(16)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
- InChI Key
- AFNIRFWVAJKJEG-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CC(C)COC(=O)CCCCc1ccccc1
- Molecular Weight1
- 234.33
- 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° | -48.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.599 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1935.54 | kPa | Joback Calculated Property |
| Inp | [1741.00; 1741.00] |
|
|
| Inp | 1741.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Tboil | 645.13 | K | Joback Calculated Property |
| Tc | 846.21 | K | Joback Calculated Property |
| Tfus | 342.39 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.83; 635.49] | J/mol×K | [645.13; 846.21] |
|
| Cp,gas | 546.83 | J/mol×K | 645.13 | Joback Calculated Property |
| Cp,gas | 563.95 | J/mol×K | 678.64 | Joback Calculated Property |
| Cp,gas | 580.10 | J/mol×K | 712.16 | Joback Calculated Property |
| Cp,gas | 595.30 | J/mol×K | 745.67 | Joback Calculated Property |
| Cp,gas | 609.57 | J/mol×K | 779.18 | Joback Calculated Property |
| Cp,gas | 622.96 | J/mol×K | 812.70 | Joback Calculated Property |
| Cp,gas | 635.49 | J/mol×K | 846.21 | Joback Calculated Property |
| η | [0.0001267; 0.0024547] | Pa×s | [342.39; 645.13] |
|
| η | 0.0024547 | Pa×s | 342.39 | Joback Calculated Property |
| η | 0.0010907 | Pa×s | 392.85 | Joback Calculated Property |
| η | 0.0005830 | Pa×s | 443.30 | Joback Calculated Property |
| η | 0.0003541 | Pa×s | 493.76 | Joback Calculated Property |
| η | 0.0002360 | Pa×s | 544.22 | Joback Calculated Property |
| η | 0.0001684 | Pa×s | 594.67 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 645.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, isobutyl ester.
Sources
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