- InChI
- InChI=1S/C18H22O2/c1-12-3-2-4-16(5-12)20-17(19)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3
- InChI Key
- DYVRJWFCGLMSCP-UHFFFAOYSA-N
- Formula
- C18H22O2
- SMILES
-
Cc1cccc(OC(=O)C23CC4CC(CC(C4)C
2)C3)c1 - Molecular Weight1
- 270.37
- 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° | 126.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 4.117 | Crippen Calculated Property | |
| McVol | 215.580 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Inp | 2134.00 | NIST | |
| Tboil | 739.25 | K | Joback Calculated Property |
| Tc | 980.95 | K | Joback Calculated Property |
| Tfus | 473.68 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.49; 780.13] | J/mol×K | [739.25; 980.95] | 
|
| Cp,gas | 666.49 | J/mol×K | 739.25 | Joback Calculated Property |
| Cp,gas | 686.95 | J/mol×K | 779.53 | Joback Calculated Property |
| Cp,gas | 706.45 | J/mol×K | 819.82 | Joback Calculated Property |
| Cp,gas | 725.25 | J/mol×K | 860.10 | Joback Calculated Property |
| Cp,gas | 743.62 | J/mol×K | 900.38 | Joback Calculated Property |
| Cp,gas | 761.83 | J/mol×K | 940.67 | Joback Calculated Property |
| Cp,gas | 780.13 | J/mol×K | 980.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxylic acid, 3-methylphenyl ester.
Sources
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