- InChI
- InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-13-16-21-19(20)18-15-12-11-14-17(18)2/h11-12,14-15H,3-10,13,16H2,1-2H3
- InChI Key
- FORHRBUFDHOUGD-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCCCCCCCOC(=O)c1ccccc1C
- Molecular Weight1
- 290.44
- Other Names
-
- o-toluylic acid, undecyl 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° | -22.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.38 | Crippen Calculated Property | |
| logPoct/wat | 5.683 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1392.29 | kPa | Joback Calculated Property |
| Inp | 2183.40 | NIST | |
| Tboil | 742.07 | K | Joback Calculated Property |
| Tc | 933.92 | K | Joback Calculated Property |
| Tfus | 414.99 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.84; 860.92] | J/mol×K | [742.07; 933.92] | 
|
| Cp,gas | 767.84 | J/mol×K | 742.07 | Joback Calculated Property |
| Cp,gas | 785.77 | J/mol×K | 774.05 | Joback Calculated Property |
| Cp,gas | 802.70 | J/mol×K | 806.02 | Joback Calculated Property |
| Cp,gas | 818.64 | J/mol×K | 838.00 | Joback Calculated Property |
| Cp,gas | 833.64 | J/mol×K | 869.97 | Joback Calculated Property |
| Cp,gas | 847.73 | J/mol×K | 901.95 | Joback Calculated Property |
| Cp,gas | 860.92 | J/mol×K | 933.92 | Joback Calculated Property |
| η | [0.0000846; 0.0011420] | Pa×s | [414.99; 742.07] |
|
| η | 0.0011420 | Pa×s | 414.99 | Joback Calculated Property |
| η | 0.0005754 | Pa×s | 469.50 | Joback Calculated Property |
| η | 0.0003344 | Pa×s | 524.02 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 578.53 | Joback Calculated Property |
| η | 0.0001495 | Pa×s | 633.04 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 687.56 | Joback Calculated Property |
| η | 0.0000846 | Pa×s | 742.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, undecyl ester.
Sources
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