- InChI
- InChI=1S/C25H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(26)24-20-18-23(2)19-21-24/h18-21H,3-17,22H2,1-2H3
- InChI Key
- ZIDJGOJFZLDOFC-UHFFFAOYSA-N
- Formula
- C25H42O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C
)cc1 - Molecular Weight1
- 374.60
- Other Names
-
- p-toluylic acid, heptadecyl 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 | 1.1150 | Relay (... Calculated Property | |
| ΔfG° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.34 | kJ/mol | Relay (... Calculated Property |
| IE | 9.03 | eV | Relay (... Calculated Property |
| log10WS | -8.12 | Relay (... Calculated Property | |
| logPoct/wat | 8.023 | Crippen Calculated Property | |
| McVol | 346.790 | ml/mol | McGowan Calculated Property |
| Pc | 943.26 | kPa | Joback Calculated Property |
| Inp | [2629.70; 2629.70] |
|
|
| Inp | 2629.70 | NIST | |
| Inp | 2629.70 | NIST | |
| Tboil | 661.97 | K | Relay (... Calculated Property |
| Tc | 856.73 | K | Relay (... Calculated Property |
| Tfus | 316.49 | K | Relay (... Calculated Property |
| Vc | 1.329 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1129.80; 1229.43] | J/mol×K | [879.35; 1078.25] |
|
| Cp,gas | 1129.80 | J/mol×K | 879.35 | Joback Calculated Property |
| Cp,gas | 1149.32 | J/mol×K | 912.50 | Joback Calculated Property |
| Cp,gas | 1167.61 | J/mol×K | 945.65 | Joback Calculated Property |
| Cp,gas | 1184.71 | J/mol×K | 978.80 | Joback Calculated Property |
| Cp,gas | 1200.69 | J/mol×K | 1011.95 | Joback Calculated Property |
| Cp,gas | 1215.57 | J/mol×K | 1045.10 | Joback Calculated Property |
| Cp,gas | 1229.43 | J/mol×K | 1078.25 | Joback Calculated Property |
| η | [0.0000376; 0.0006292] | Pa×s | [482.61; 879.35] |
|
| η | 0.0006292 | Pa×s | 482.61 | Joback Calculated Property |
| η | 0.0002964 | Pa×s | 548.73 | Joback Calculated Property |
| η | 0.0001641 | Pa×s | 614.86 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 680.98 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 747.10 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 813.23 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 879.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, heptadecyl ester.
Sources
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