- InChI
- InChI=1S/C24H40O2/c1-4-6-7-8-9-10-11-12-13-14-16-23(15-5-2)26-24(25)22-19-17-21(3)18-20-22/h17-20,23H,4-16H2,1-3H3
- InChI Key
- RPPXGVKKLNFUPZ-UHFFFAOYSA-N
- Formula
- C24H40O2
- SMILES
-
CCCCCCCCCCCCC(CCC)OC(=O)c1ccc(
C)cc1 - Molecular Weight1
- 360.57
- Other Names
-
- p-toluylic acid, 4-hexadecyl 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° | 17.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.72 | kJ/mol | Joback Calculated Property |
| log10WS | -8.58 | Crippen Calculated Property | |
| logPoct/wat | 7.632 | Crippen Calculated Property | |
| McVol | 332.700 | ml/mol | McGowan Calculated Property |
| Pc | 1006.53 | kPa | Joback Calculated Property |
| Inp | [2434.50; 2434.50] |
|
|
| Inp | 2434.50 | NIST | |
| Inp | 2434.50 | NIST | |
| Tboil | 856.03 | K | Joback Calculated Property |
| Tc | 1052.96 | K | Joback Calculated Property |
| Tfus | 456.34 | K | Joback Calculated Property |
| Vc | 1.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1068.02; 1166.67] | J/mol×K | [856.03; 1052.96] |
|
| Cp,gas | 1068.02 | J/mol×K | 856.03 | Joback Calculated Property |
| Cp,gas | 1087.32 | J/mol×K | 888.85 | Joback Calculated Property |
| Cp,gas | 1105.41 | J/mol×K | 921.67 | Joback Calculated Property |
| Cp,gas | 1122.35 | J/mol×K | 954.50 | Joback Calculated Property |
| Cp,gas | 1138.18 | J/mol×K | 987.32 | Joback Calculated Property |
| Cp,gas | 1152.93 | J/mol×K | 1020.14 | Joback Calculated Property |
| Cp,gas | 1166.67 | J/mol×K | 1052.96 | Joback Calculated Property |
| η | [0.0000397; 0.0008185] | Pa×s | [456.34; 856.03] |
|
| η | 0.0008185 | Pa×s | 456.34 | Joback Calculated Property |
| η | 0.0003584 | Pa×s | 522.95 | Joback Calculated Property |
| η | 0.0001891 | Pa×s | 589.57 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 656.18 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 722.80 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 789.41 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 856.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, 4-hexadecyl ester.
Sources
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