- InChI
- InChI=1S/C16H24O2/c1-3-9-14(2)18-16(17)13-8-7-12-15-10-5-4-6-11-15/h4-6,10-11,14H,3,7-9,12-13H2,1-2H3
- InChI Key
- UZVOMTSKPPMVGR-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCC(C)OC(=O)CCCCc1ccccc1
- Molecular Weight1
- 248.36
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7004 | Relay (... Calculated Property | |
| ΔfG° | -40.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -4.24 | Relay (... Calculated Property | |
| logPoct/wat | 4.131 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | [1800.00; 1800.00] |
|
|
| Inp | 1800.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Tboil | 569.90 | K | Relay (... Calculated Property |
| Tc | 768.41 | K | Relay (... Calculated Property |
| Tfus | 232.82 | K | Relay (... Calculated Property |
| Vc | 0.819 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.45; 691.01] | J/mol×K | [668.01; 866.60] |
|
| Cp,gas | 600.45 | J/mol×K | 668.01 | Joback Calculated Property |
| Cp,gas | 617.94 | J/mol×K | 701.11 | Joback Calculated Property |
| Cp,gas | 634.43 | J/mol×K | 734.21 | Joback Calculated Property |
| Cp,gas | 649.95 | J/mol×K | 767.31 | Joback Calculated Property |
| Cp,gas | 664.53 | J/mol×K | 800.40 | Joback Calculated Property |
| Cp,gas | 678.21 | J/mol×K | 833.50 | Joback Calculated Property |
| Cp,gas | 691.01 | J/mol×K | 866.60 | Joback Calculated Property |
| η | [0.0001130; 0.0022754] | Pa×s | [353.66; 668.01] |
|
| η | 0.0022754 | Pa×s | 353.66 | Joback Calculated Property |
| η | 0.0009989 | Pa×s | 406.05 | Joback Calculated Property |
| η | 0.0005293 | Pa×s | 458.44 | Joback Calculated Property |
| η | 0.0003195 | Pa×s | 510.84 | Joback Calculated Property |
| η | 0.0002118 | Pa×s | 563.23 | Joback Calculated Property |
| η | 0.0001506 | Pa×s | 615.62 | Joback Calculated Property |
| η | 0.0001130 | Pa×s | 668.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, pent-2-yl ester.
Sources
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