- InChI
- InChI=1S/C20H26O2/c1-2-14-3-5-18(6-4-14)19(21)22-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,2,7-13H2,1H3
- InChI Key
- FLVOKNUCTFWOKW-UHFFFAOYSA-N
- Formula
- C20H26O2
- SMILES
-
CCc1ccc(C(=O)OCC23CC4CC(CC(C4)
C2)C3)cc1 - Molecular Weight1
- 298.42
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.6809 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.622 | Crippen Calculated Property | |
| McVol | 243.760 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [2443.40; 2443.40] |
|
|
| Inp | 2443.40 | NIST | |
| Inp | 2443.40 | NIST | |
| Tboil | 663.79 | K | Relay (1.0) Calculated Property |
| Tc | 922.87 | K | Relay (1.0) Calculated Property |
| Tfus | 420.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.45; 901.21] | J/mol×K | [785.01; 1017.93] |
|
| Cp,gas | 781.45 | J/mol×K | 785.01 | Joback Calculated Property |
| Cp,gas | 802.52 | J/mol×K | 823.83 | Joback Calculated Property |
| Cp,gas | 822.82 | J/mol×K | 862.65 | Joback Calculated Property |
| Cp,gas | 842.60 | J/mol×K | 901.47 | Joback Calculated Property |
| Cp,gas | 862.09 | J/mol×K | 940.29 | Joback Calculated Property |
| Cp,gas | 881.54 | J/mol×K | 979.11 | Joback Calculated Property |
| Cp,gas | 901.21 | J/mol×K | 1017.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 1-adamantylmethyl ester.
Sources
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