- InChI
- InChI=1S/C20H26O3/c1-22-18-5-3-2-4-17(18)19(21)23-7-6-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
- InChI Key
- IFNXVXHTDVOPQW-UHFFFAOYSA-N
- Formula
- C20H26O3
- SMILES
-
COc1ccccc1C(=O)OCCC12CC3CC(CC(
C3)C1)C2 - Molecular Weight1
- 314.42
- 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 | 0.7249 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.459 | Crippen Calculated Property | |
| McVol | 249.630 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | 2527.00 | NIST | |
| Tboil | 675.48 | K | Relay (1.0) Calculated Property |
| Tc | 939.81 | K | Relay (1.0) Calculated Property |
| Tfus | 424.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.919 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.72; 929.61] | J/mol×K | [807.43; 1037.73] | 
|
| Cp,gas | 811.72 | J/mol×K | 807.43 | Joback Calculated Property |
| Cp,gas | 832.39 | J/mol×K | 845.81 | Joback Calculated Property |
| Cp,gas | 852.36 | J/mol×K | 884.20 | Joback Calculated Property |
| Cp,gas | 871.85 | J/mol×K | 922.58 | Joback Calculated Property |
| Cp,gas | 891.07 | J/mol×K | 960.96 | Joback Calculated Property |
| Cp,gas | 910.25 | J/mol×K | 999.34 | Joback Calculated Property |
| Cp,gas | 929.61 | J/mol×K | 1037.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, 2-(1-adamantyl)ethyl ester.
Sources
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