- InChI
- InChI=1S/C18H22O2/c1-11-4-2-3-5-16(11)18(19)20-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3
- InChI Key
- ANBSURKHJFWIRW-UHFFFAOYSA-N
- Formula
- C18H22O2
- SMILES
-
Cc1ccccc1C(=O)OC1C2CC3CC(C2)CC
1C3 - Molecular Weight1
- 270.37
- Other Names
-
- o-toluylic acid, 2-adamantyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 124.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 3.977 | Crippen Calculated Property | |
| McVol | 215.580 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Inp | [2186.50; 2186.50] |
|
|
| Inp | 2186.50 | NIST | |
| Inp | 2186.50 | NIST | |
| Tboil | 734.34 | K | Joback Calculated Property |
| Tc | 967.98 | K | Joback Calculated Property |
| Tfus | 445.54 | K | Joback Calculated Property |
| Vc | 0.821 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.94; 777.03] | J/mol×K | [734.34; 967.98] |
|
| Cp,gas | 673.94 | J/mol×K | 734.34 | Joback Calculated Property |
| Cp,gas | 694.33 | J/mol×K | 773.28 | Joback Calculated Property |
| Cp,gas | 713.27 | J/mol×K | 812.22 | Joback Calculated Property |
| Cp,gas | 730.89 | J/mol×K | 851.16 | Joback Calculated Property |
| Cp,gas | 747.30 | J/mol×K | 890.10 | Joback Calculated Property |
| Cp,gas | 762.64 | J/mol×K | 929.04 | Joback Calculated Property |
| Cp,gas | 777.03 | J/mol×K | 967.98 | Joback Calculated Property |
| η | [0.0023353; 0.0037160] | Pa×s | [445.54; 734.34] |
|
| η | 0.0037160 | Pa×s | 445.54 | Joback Calculated Property |
| η | 0.0033118 | Pa×s | 493.67 | Joback Calculated Property |
| η | 0.0030126 | Pa×s | 541.81 | Joback Calculated Property |
| η | 0.0027831 | Pa×s | 589.94 | Joback Calculated Property |
| η | 0.0026020 | Pa×s | 638.07 | Joback Calculated Property |
| η | 0.0024557 | Pa×s | 686.21 | Joback Calculated Property |
| η | 0.0023353 | Pa×s | 734.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, 2-adamantyl ester.
Sources
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