- InChI
- InChI=1S/C21H34O2/c1-4-6-7-8-9-10-11-12-16-20(5-2)23-21(22)19-15-13-14-18(3)17-19/h13-15,17,20H,4-12,16H2,1-3H3
- InChI Key
- QZPIDJIOSYQGDA-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
-
CCCCCCCCCCC(CC)OC(=O)c1cccc(C)
c1 - Molecular Weight1
- 318.49
- Other Names
-
- m-Toluylic acid, 3-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° | -7.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.05 | kJ/mol | Joback Calculated Property |
| log10WS | -7.32 | Crippen Calculated Property | |
| logPoct/wat | 6.461 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1219.14 | kPa | Joback Calculated Property |
| Inp | [2223.00; 2223.00] |
|
|
| Inp | 2223.00 | NIST | |
| Inp | 2223.00 | NIST | |
| Tboil | 787.39 | K | Joback Calculated Property |
| Tc | 980.88 | K | Joback Calculated Property |
| Tfus | 422.53 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.66; 981.66] | J/mol×K | [787.39; 980.88] |
|
| Cp,gas | 885.66 | J/mol×K | 787.39 | Joback Calculated Property |
| Cp,gas | 904.28 | J/mol×K | 819.64 | Joback Calculated Property |
| Cp,gas | 921.80 | J/mol×K | 851.89 | Joback Calculated Property |
| Cp,gas | 938.27 | J/mol×K | 884.13 | Joback Calculated Property |
| Cp,gas | 953.71 | J/mol×K | 916.38 | Joback Calculated Property |
| Cp,gas | 968.16 | J/mol×K | 948.63 | Joback Calculated Property |
| Cp,gas | 981.66 | J/mol×K | 980.88 | Joback Calculated Property |
| η | [0.0000601; 0.0011307] | Pa×s | [422.53; 787.39] |
|
| η | 0.0011307 | Pa×s | 422.53 | Joback Calculated Property |
| η | 0.0005097 | Pa×s | 483.34 | Joback Calculated Property |
| η | 0.0002745 | Pa×s | 544.15 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 604.96 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 665.77 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 726.58 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 787.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Toluic acid, 3-tridecyl ester.
Sources
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