- InChI
- InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-13-18-22-20(21)17-16-19-14-11-10-12-15-19/h9-15H,2-8,16-18H2,1H3/b13-9+
- InChI Key
- PPSMSYBRCIUADP-UKTHLTGXSA-N
- Formula
- C20H30O2
- SMILES
- CCCCCCCCC=CCOC(=O)CCc1ccccc1
- Molecular Weight1
- 302.45
- 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 | 0.8077 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.469 | Crippen Calculated Property | |
| McVol | 272.040 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | [2234.00; 2234.00] |
|
|
| Inp | 2234.00 | NIST | |
| Inp | 2234.00 | NIST | |
| Tboil | 620.13 | K | Relay (1.0) Calculated Property |
| Tc | 820.50 | K | Relay (1.0) Calculated Property |
| Tfus | 255.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.995 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.73; 887.73] | J/mol×K | [746.26; 939.58] |
|
| Cp,gas | 794.73 | J/mol×K | 746.26 | Joback Calculated Property |
| Cp,gas | 812.76 | J/mol×K | 778.48 | Joback Calculated Property |
| Cp,gas | 829.71 | J/mol×K | 810.70 | Joback Calculated Property |
| Cp,gas | 845.63 | J/mol×K | 842.92 | Joback Calculated Property |
| Cp,gas | 860.57 | J/mol×K | 875.14 | Joback Calculated Property |
| Cp,gas | 874.59 | J/mol×K | 907.36 | Joback Calculated Property |
| Cp,gas | 887.73 | J/mol×K | 939.58 | Joback Calculated Property |
| η | [0.0000570; 0.0016578] | Pa×s | [378.83; 746.26] |
|
| η | 0.0016578 | Pa×s | 378.83 | Joback Calculated Property |
| η | 0.0006396 | Pa×s | 440.07 | Joback Calculated Property |
| η | 0.0003114 | Pa×s | 501.31 | Joback Calculated Property |
| η | 0.0001773 | Pa×s | 562.54 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 623.78 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 685.02 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 746.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, undec-2-enyl ester.
Sources
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