- InChI
- InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)25-22-19-18-21-24(25)2/h18-19,21-22H,3-17,20,23H2,1-2H3
- InChI Key
- DDBNDPFMAYKYRG-UHFFFAOYSA-N
- Formula
- C26H44O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1C - Molecular Weight1
- 388.63
- Other Names
-
- o-Toluylic acid, octadecyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1426 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.413 | Crippen Calculated Property | |
| McVol | 360.880 | ml/mol | McGowan Calculated Property |
| Pc | 890.00 | kPa | Joback Calculated Property |
| Inp | 2815.80 | NIST | |
| Tboil | 658.55 | K | Relay (1.0) Calculated Property |
| Tc | 867.11 | K | Relay (1.0) Calculated Property |
| Tfus | 302.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1192.67; 1293.56] | J/mol×K | [902.23; 1104.96] | 
|
| Cp,gas | 1192.67 | J/mol×K | 902.23 | Joback Calculated Property |
| Cp,gas | 1212.53 | J/mol×K | 936.02 | Joback Calculated Property |
| Cp,gas | 1231.10 | J/mol×K | 969.81 | Joback Calculated Property |
| Cp,gas | 1248.44 | J/mol×K | 1003.60 | Joback Calculated Property |
| Cp,gas | 1264.59 | J/mol×K | 1037.39 | Joback Calculated Property |
| Cp,gas | 1279.61 | J/mol×K | 1071.18 | Joback Calculated Property |
| Cp,gas | 1293.56 | J/mol×K | 1104.96 | Joback Calculated Property |
| η | [0.0000325; 0.0005613] | Pa×s | [493.88; 902.23] |
|
| η | 0.0005613 | Pa×s | 493.88 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 561.94 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 630.00 | Joback Calculated Property |
| η | 0.0000890 | Pa×s | 698.05 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 766.11 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 834.17 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 902.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, octadecyl ester.
Sources
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