- InChI
- InChI=1S/C14H20O2/c1-12(2)16-14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
- InChI Key
- JRLFTYAWQAZIDG-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CC(C)OC(=O)CCCCc1ccccc1
- Molecular Weight1
- 220.31
- 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 | 0.6266 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.351 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | [1688.00; 1688.00] |
|
|
| Inp | 1688.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Tboil | 535.09 | K | Relay (1.0) Calculated Property |
| Tc | 746.80 | K | Relay (1.0) Calculated Property |
| Tfus | 245.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.60; 576.45] | J/mol×K | [604.38; 806.08] |
|
| Cp,gas | 488.60 | J/mol×K | 604.38 | Joback Calculated Property |
| Cp,gas | 505.64 | J/mol×K | 638.00 | Joback Calculated Property |
| Cp,gas | 521.69 | J/mol×K | 671.61 | Joback Calculated Property |
| Cp,gas | 536.76 | J/mol×K | 705.23 | Joback Calculated Property |
| Cp,gas | 550.90 | J/mol×K | 738.85 | Joback Calculated Property |
| Cp,gas | 564.11 | J/mol×K | 772.46 | Joback Calculated Property |
| Cp,gas | 576.45 | J/mol×K | 806.08 | Joback Calculated Property |
| η | [0.0001284; 0.0041597] | Pa×s | [301.29; 604.38] |
|
| η | 0.0041597 | Pa×s | 301.29 | Joback Calculated Property |
| η | 0.0015366 | Pa×s | 351.81 | Joback Calculated Property |
| η | 0.0007289 | Pa×s | 402.32 | Joback Calculated Property |
| η | 0.0004084 | Pa×s | 452.83 | Joback Calculated Property |
| η | 0.0002570 | Pa×s | 503.35 | Joback Calculated Property |
| η | 0.0001760 | Pa×s | 553.86 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 604.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, isopropyl ester.
Sources
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