- InChI
- InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-24(25)23-20-17-16-19-22(23)2/h16-17,19-20H,3-15,18,21H2,1-2H3
- InChI Key
- QUDQJCHCKASANX-UHFFFAOYSA-N
- Formula
- C24H40O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccccc1
C - Molecular Weight1
- 360.57
- Other Names
-
- o-Toluylic acid, 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° | 20.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.11 | kJ/mol | Joback Calculated Property |
| log10WS | -8.47 | Crippen Calculated Property | |
| logPoct/wat | 7.633 | Crippen Calculated Property | |
| McVol | 332.700 | ml/mol | McGowan Calculated Property |
| Pc | 1001.44 | kPa | Joback Calculated Property |
| Inp | [2644.90; 2644.90] |
|
|
| Inp | 2644.90 | NIST | |
| Inp | 2644.90 | NIST | |
| Tboil | 856.47 | K | Joback Calculated Property |
| Tc | 1052.40 | K | Joback Calculated Property |
| Tfus | 471.34 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.56; 1166.02] | J/mol×K | [856.47; 1052.40] |
|
| Cp,gas | 1067.56 | J/mol×K | 856.47 | Joback Calculated Property |
| Cp,gas | 1086.77 | J/mol×K | 889.13 | Joback Calculated Property |
| Cp,gas | 1104.80 | J/mol×K | 921.78 | Joback Calculated Property |
| Cp,gas | 1121.70 | J/mol×K | 954.44 | Joback Calculated Property |
| Cp,gas | 1137.51 | J/mol×K | 987.09 | Joback Calculated Property |
| Cp,gas | 1152.27 | J/mol×K | 1019.75 | Joback Calculated Property |
| Cp,gas | 1166.02 | J/mol×K | 1052.40 | Joback Calculated Property |
| η | [0.0000433; 0.0007027] | Pa×s | [471.34; 856.47] |
|
| η | 0.0007027 | Pa×s | 471.34 | Joback Calculated Property |
| η | 0.0003343 | Pa×s | 535.53 | Joback Calculated Property |
| η | 0.0001865 | Pa×s | 599.72 | Joback Calculated Property |
| η | 0.0001165 | Pa×s | 663.90 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 728.09 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 792.28 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 856.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, hexadecyl ester.
Sources
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