- InChI
- InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-17-22-20(21)19-15-13-18(4-2)14-16-19/h13-16H,3-12,17H2,1-2H3
- InChI Key
- BFXFTBUWNDMLRM-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
- CCCCCCCCCCCOC(=O)c1ccc(CC)cc1
- Molecular Weight1
- 304.47
- 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° | -13.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.21 | kJ/mol | Joback Calculated Property |
| log10WS | -6.70 | Crippen Calculated Property | |
| logPoct/wat | 5.937 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1297.66 | kPa | Joback Calculated Property |
| Inp | [2322.10; 2322.10] |
|
|
| Inp | 2322.10 | NIST | |
| Inp | 2322.10 | NIST | |
| Tboil | 764.95 | K | Joback Calculated Property |
| Tc | 956.36 | K | Joback Calculated Property |
| Tfus | 426.26 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.03; 920.27] | J/mol×K | [764.95; 956.36] |
|
| Cp,gas | 826.03 | J/mol×K | 764.95 | Joback Calculated Property |
| Cp,gas | 844.22 | J/mol×K | 796.85 | Joback Calculated Property |
| Cp,gas | 861.37 | J/mol×K | 828.75 | Joback Calculated Property |
| Cp,gas | 877.51 | J/mol×K | 860.66 | Joback Calculated Property |
| Cp,gas | 892.69 | J/mol×K | 892.56 | Joback Calculated Property |
| Cp,gas | 906.93 | J/mol×K | 924.46 | Joback Calculated Property |
| Cp,gas | 920.27 | J/mol×K | 956.36 | Joback Calculated Property |
| η | [0.0000745; 0.0010468] | Pa×s | [426.26; 764.95] |
|
| η | 0.0010468 | Pa×s | 426.26 | Joback Calculated Property |
| η | 0.0005209 | Pa×s | 482.71 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 539.16 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 595.61 | Joback Calculated Property |
| η | 0.0001325 | Pa×s | 652.05 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 708.50 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 764.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, undecyl ester.
Sources
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