- InChI
- InChI=1S/C19H24O2/c1-13-4-2-3-5-17(13)18(20)21-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3
- InChI Key
- OUCCUMMQWFSCIK-UHFFFAOYSA-N
- Formula
- C19H24O2
- SMILES
-
Cc1ccccc1C(=O)OCC12CC3CC(CC(C3
)C1)C2 - Molecular Weight1
- 284.39
- Other Names
-
- o-toluylic acid, 1-adamantylmethyl 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° | 134.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.368 | Crippen Calculated Property | |
| McVol | 229.670 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | [2296.70; 2296.70] |
|
|
| Inp | 2296.70 | NIST | |
| Inp | 2296.70 | NIST | |
| Tboil | 762.13 | K | Joback Calculated Property |
| Tc | 999.19 | K | Joback Calculated Property |
| Tfus | 484.95 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.41; 840.10] | J/mol×K | [762.13; 999.19] |
|
| Cp,gas | 723.41 | J/mol×K | 762.13 | Joback Calculated Property |
| Cp,gas | 744.17 | J/mol×K | 801.64 | Joback Calculated Property |
| Cp,gas | 764.07 | J/mol×K | 841.15 | Joback Calculated Property |
| Cp,gas | 783.36 | J/mol×K | 880.66 | Joback Calculated Property |
| Cp,gas | 802.29 | J/mol×K | 920.17 | Joback Calculated Property |
| Cp,gas | 821.11 | J/mol×K | 959.68 | Joback Calculated Property |
| Cp,gas | 840.10 | J/mol×K | 999.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, 1-adamantylmethyl ester.
Sources
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