- InChI
- InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-15-20-24-22(23)19-14-13-18-21-16-11-10-12-17-21/h10-12,16-17H,2-9,13-15,18-20H2,1H3
- InChI Key
- DLQQNBPDQMMYKD-UHFFFAOYSA-N
- Formula
- C22H36O2
- SMILES
- CCCCCCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 332.52
- 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 | 0.9753 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.473 | Crippen Calculated Property | |
| McVol | 304.520 | ml/mol | McGowan Calculated Property |
| Pc | 1115.57 | kPa | Joback Calculated Property |
| Inp | [2509.00; 2509.00] |
|
|
| Inp | 2509.00 | NIST | |
| Inp | 2509.00 | NIST | |
| Tboil | 642.17 | K | Relay (1.0) Calculated Property |
| Tc | 835.42 | K | Relay (1.0) Calculated Property |
| Tfus | 278.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.04; 1034.36] | J/mol×K | [787.86; 976.61] |
|
| Cp,gas | 937.04 | J/mol×K | 787.86 | Joback Calculated Property |
| Cp,gas | 955.95 | J/mol×K | 819.32 | Joback Calculated Property |
| Cp,gas | 973.73 | J/mol×K | 850.78 | Joback Calculated Property |
| Cp,gas | 990.42 | J/mol×K | 882.24 | Joback Calculated Property |
| Cp,gas | 1006.06 | J/mol×K | 913.70 | Joback Calculated Property |
| Cp,gas | 1020.69 | J/mol×K | 945.16 | Joback Calculated Property |
| Cp,gas | 1034.36 | J/mol×K | 976.61 | Joback Calculated Property |
| η | [0.0000500; 0.0014119] | Pa×s | [406.45; 787.86] |
|
| η | 0.0014119 | Pa×s | 406.45 | Joback Calculated Property |
| η | 0.0005552 | Pa×s | 470.02 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 533.59 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 597.15 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 660.72 | Joback Calculated Property |
| η | 0.0000683 | Pa×s | 724.29 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 787.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, undecyl ester.
Sources
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