- InChI
- InChI=1S/C19H24O3/c1-21-17-4-2-3-16(8-17)18(20)22-12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3
- InChI Key
- XEOJDIHEPZRJIJ-UHFFFAOYSA-N
- Formula
- C19H24O3
- SMILES
-
COc1cccc(C(=O)OCC23CC4CC(CC(C4
)C2)C3)c1 - Molecular Weight1
- 300.40
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -550.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.068 | Crippen Calculated Property | |
| McVol | 235.540 | ml/mol | McGowan Calculated Property |
| Inp | 2451.90 | NIST | |
| Tboil | 671.72 | K | Relay (1.0) Calculated Property |
| Tfus | 418.85 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.31; 859.18] | J/mol×K | [766.68; 999.13] | 
|
| Cp,gas | 746.31 | J/mol×K | 766.68 | Joback Calculated Property |
| Cp,gas | 766.70 | J/mol×K | 805.42 | Joback Calculated Property |
| Cp,gas | 786.16 | J/mol×K | 844.16 | Joback Calculated Property |
| Cp,gas | 804.92 | J/mol×K | 882.91 | Joback Calculated Property |
| Cp,gas | 823.19 | J/mol×K | 921.65 | Joback Calculated Property |
| Cp,gas | 841.20 | J/mol×K | 960.39 | Joback Calculated Property |
| Cp,gas | 859.18 | J/mol×K | 999.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-anisic acid, 1-adamantylmethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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