- InChI
- InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-21(22)20-16-14-19(2)15-17-20/h14-17H,3-13,18H2,1-2H3
- InChI Key
- OXQYFKXTOBSGOW-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
- CCCCCCCCCCCCCOC(=O)c1ccc(C)cc1
- Molecular Weight1
- 318.49
- Other Names
-
- p-Toluylic acid, tridecyl 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° | -5.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.43 | kJ/mol | Joback Calculated Property |
| log10WS | -7.21 | Crippen Calculated Property | |
| logPoct/wat | 6.463 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1212.36 | kPa | Joback Calculated Property |
| Inp | 2435.90 | NIST | |
| Tboil | 787.83 | K | Joback Calculated Property |
| Tc | 979.38 | K | Joback Calculated Property |
| Tfus | 437.53 | K | Joback Calculated Property |
| Vc | 1.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.17; 980.48] | J/mol×K | [787.83; 979.38] | 
|
| Cp,gas | 885.17 | J/mol×K | 787.83 | Joback Calculated Property |
| Cp,gas | 903.60 | J/mol×K | 819.75 | Joback Calculated Property |
| Cp,gas | 920.96 | J/mol×K | 851.68 | Joback Calculated Property |
| Cp,gas | 937.30 | J/mol×K | 883.60 | Joback Calculated Property |
| Cp,gas | 952.64 | J/mol×K | 915.53 | Joback Calculated Property |
| Cp,gas | 967.02 | J/mol×K | 947.45 | Joback Calculated Property |
| Cp,gas | 980.48 | J/mol×K | 979.38 | Joback Calculated Property |
| η | [0.0000654; 0.0009543] | Pa×s | [437.53; 787.83] |
|
| η | 0.0009543 | Pa×s | 437.53 | Joback Calculated Property |
| η | 0.0004692 | Pa×s | 495.91 | Joback Calculated Property |
| η | 0.0002679 | Pa×s | 554.30 | Joback Calculated Property |
| η | 0.0001702 | Pa×s | 612.68 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 671.06 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 729.45 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 787.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, tridecyl ester.
Sources
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