- InChI
- InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-20(3)24-22(23)21-17-15-19(2)16-18-21/h15-18,20H,4-14H2,1-3H3
- InChI Key
- MRSGQLQHPWFMEH-UHFFFAOYSA-N
- Formula
- C22H36O2
- SMILES
-
CCCCCCCCCCCCC(C)OC(=O)c1ccc(C)
cc1 - Molecular Weight1
- 332.52
- Other Names
-
- p-Toluylic acid, 2-tetradecyl 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° | 0.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.27 | kJ/mol | Joback Calculated Property |
| log10WS | -7.74 | Crippen Calculated Property | |
| logPoct/wat | 6.851 | Crippen Calculated Property | |
| McVol | 304.520 | ml/mol | McGowan Calculated Property |
| Pc | 1141.34 | kPa | Joback Calculated Property |
| Inp | [2388.00; 2388.00] |
|
|
| Inp | 2388.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Tboil | 810.27 | K | Joback Calculated Property |
| Tc | 1004.22 | K | Joback Calculated Property |
| Tfus | 433.80 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.66; 1042.54] | J/mol×K | [810.27; 1004.22] |
|
| Cp,gas | 945.66 | J/mol×K | 810.27 | Joback Calculated Property |
| Cp,gas | 964.50 | J/mol×K | 842.59 | Joback Calculated Property |
| Cp,gas | 982.20 | J/mol×K | 874.92 | Joback Calculated Property |
| Cp,gas | 998.82 | J/mol×K | 907.24 | Joback Calculated Property |
| Cp,gas | 1014.39 | J/mol×K | 939.57 | Joback Calculated Property |
| Cp,gas | 1028.95 | J/mol×K | 971.89 | Joback Calculated Property |
| Cp,gas | 1042.54 | J/mol×K | 1004.22 | Joback Calculated Property |
| η | [0.0000525; 0.0010196] | Pa×s | [433.80; 810.27] |
|
| η | 0.0010196 | Pa×s | 433.80 | Joback Calculated Property |
| η | 0.0004550 | Pa×s | 496.55 | Joback Calculated Property |
| η | 0.0002433 | Pa×s | 559.29 | Joback Calculated Property |
| η | 0.0001476 | Pa×s | 622.03 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 684.78 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 747.52 | Joback Calculated Property |
| η | 0.0000525 | Pa×s | 810.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, 2-tetradecyl ester.
Sources
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