- InChI
- InChI=1S/C19H30O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3
- InChI Key
- SLWMHUHQQGJULD-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCC(CC)COC(=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° | -14.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.93 | kJ/mol | Joback Calculated Property |
| log10WS | -5.50 | Crippen Calculated Property | |
| logPoct/wat | 5.159 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1416.50 | kPa | Joback Calculated Property |
| Inp | [2113.00; 2113.00] |
|
|
| Inp | 2113.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Tboil | 736.65 | K | Joback Calculated Property |
| Tc | 930.19 | K | Joback Calculated Property |
| Tfus | 387.47 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.54; 863.14] | J/mol×K | [736.65; 930.19] |
|
| Cp,gas | 768.54 | J/mol×K | 736.65 | Joback Calculated Property |
| Cp,gas | 786.83 | J/mol×K | 768.91 | Joback Calculated Property |
| Cp,gas | 804.07 | J/mol×K | 801.16 | Joback Calculated Property |
| Cp,gas | 820.28 | J/mol×K | 833.42 | Joback Calculated Property |
| Cp,gas | 835.51 | J/mol×K | 865.68 | Joback Calculated Property |
| Cp,gas | 849.78 | J/mol×K | 897.93 | Joback Calculated Property |
| Cp,gas | 863.14 | J/mol×K | 930.19 | Joback Calculated Property |
| η | [0.0000779; 0.0017401] | Pa×s | [387.47; 736.65] |
|
| η | 0.0017401 | Pa×s | 387.47 | Joback Calculated Property |
| η | 0.0007395 | Pa×s | 445.67 | Joback Calculated Property |
| η | 0.0003830 | Pa×s | 503.86 | Joback Calculated Property |
| η | 0.0002273 | Pa×s | 562.06 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 620.26 | Joback Calculated Property |
| η | 0.0001047 | Pa×s | 678.45 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 736.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, 2-ethylhexyl ester.
Sources
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