- InChI
- InChI=1S/C23H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-23(24)22-18-16-17-21(2)20-22/h16-18,20H,3-15,19H2,1-2H3
- InChI Key
- XKAKCFFKCDQFSB-UHFFFAOYSA-N
- Formula
- C23H38O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(C)
c1 - Molecular Weight1
- 346.55
- Other Names
-
- m-Toluylic acid, pentadecyl 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° | 11.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Joback Calculated Property |
| log10WS | -8.05 | Crippen Calculated Property | |
| logPoct/wat | 7.243 | Crippen Calculated Property | |
| McVol | 318.610 | ml/mol | McGowan Calculated Property |
| Pc | 1065.18 | kPa | Joback Calculated Property |
| Inp | [2577.40; 2577.40] |
|
|
| Inp | 2577.40 | NIST | |
| Inp | 2577.40 | NIST | |
| Tboil | 833.59 | K | Joback Calculated Property |
| Tc | 1027.34 | K | Joback Calculated Property |
| Tfus | 460.07 | K | Joback Calculated Property |
| Vc | 1.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.00; 1103.38] | J/mol×K | [833.59; 1027.34] |
|
| Cp,gas | 1006.00 | J/mol×K | 833.59 | Joback Calculated Property |
| Cp,gas | 1024.93 | J/mol×K | 865.88 | Joback Calculated Property |
| Cp,gas | 1042.73 | J/mol×K | 898.17 | Joback Calculated Property |
| Cp,gas | 1059.43 | J/mol×K | 930.47 | Joback Calculated Property |
| Cp,gas | 1075.08 | J/mol×K | 962.76 | Joback Calculated Property |
| Cp,gas | 1089.72 | J/mol×K | 995.05 | Joback Calculated Property |
| Cp,gas | 1103.38 | J/mol×K | 1027.34 | Joback Calculated Property |
| η | [0.0000498; 0.0007816] | Pa×s | [460.07; 833.59] |
|
| η | 0.0007816 | Pa×s | 460.07 | Joback Calculated Property |
| η | 0.0003758 | Pa×s | 522.32 | Joback Calculated Property |
| η | 0.0002112 | Pa×s | 584.58 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 646.83 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 709.08 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 771.34 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 833.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Toluic acid, pentadecyl ester.
Sources
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