- InChI
- InChI=1S/C18H22O3/c1-20-15-2-4-16(5-3-15)21-17(19)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3
- InChI Key
- IISGTOWMMIBYLB-UHFFFAOYSA-N
- Formula
- C18H22O3
- SMILES
-
COc1ccc(OC(=O)C23CC4CC(CC(C4)C
2)C3)cc1 - Molecular Weight1
- 286.37
- 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).
- 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° | 21.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 3.817 | Crippen Calculated Property | |
| McVol | 221.450 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Inp | 2314.00 | NIST | |
| Tboil | 761.67 | K | Joback Calculated Property |
| Tc | 999.87 | K | Joback Calculated Property |
| Tfus | 495.91 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.55; 807.34] | J/mol×K | [761.67; 999.87] | 
|
| Cp,gas | 695.55 | J/mol×K | 761.67 | Joback Calculated Property |
| Cp,gas | 715.56 | J/mol×K | 801.37 | Joback Calculated Property |
| Cp,gas | 734.70 | J/mol×K | 841.07 | Joback Calculated Property |
| Cp,gas | 753.22 | J/mol×K | 880.77 | Joback Calculated Property |
| Cp,gas | 771.34 | J/mol×K | 920.47 | Joback Calculated Property |
| Cp,gas | 789.30 | J/mol×K | 960.17 | Joback Calculated Property |
| Cp,gas | 807.34 | J/mol×K | 999.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxylic acid, 4-methoxyphenyl ester.
Sources
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