- InChI
- InChI=1S/C20H26O2/c1-14-3-2-4-18(7-14)19(21)22-6-5-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-4,7,15-17H,5-6,8-13H2,1H3
- InChI Key
- QXDLZKOHACFPPP-UHFFFAOYSA-N
- Formula
- C20H26O2
- SMILES
-
Cc1cccc(C(=O)OCCC23CC4CC(CC(C4
)C2)C3)c1 - Molecular Weight1
- 298.42
- Other Names
-
- m-toluylic acid, 2-(1-adamantyl)ethyl ester
- 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° | 143.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.51 | Crippen Calculated Property | |
| logPoct/wat | 4.758 | Crippen Calculated Property | |
| McVol | 243.760 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [2445.70; 2445.70] |
|
|
| Inp | 2445.70 | NIST | |
| Inp | 2445.70 | NIST | |
| Tboil | 785.01 | K | Joback Calculated Property |
| Tc | 1017.93 | K | Joback Calculated Property |
| Tfus | 496.22 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback 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 m-Toluic acid, 2-(1-adamantyl)ethyl ester.
Sources
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