- InChI
- InChI=1S/C23H38O2/c1-4-6-8-9-10-11-12-13-18-21(17-7-5-2)25-23(24)22-19-15-14-16-20(22)3/h14-16,19,21H,4-13,17-18H2,1-3H3
- InChI Key
- WWWHVAQHCFFKEB-UHFFFAOYSA-N
- Formula
- C23H38O2
- SMILES
-
CCCCCCCCCCC(CCCC)OC(=O)c1ccccc
1C - Molecular Weight1
- 346.55
- Other Names
-
- o-Toluylic acid, 5-pentadecyl 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 | 0.9796 | Relay (1.0) Calculated Property | |
| ΔfG° | 9.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.241 | Crippen Calculated Property | |
| McVol | 318.610 | ml/mol | McGowan Calculated Property |
| Pc | 1070.76 | kPa | Joback Calculated Property |
| Inp | [2370.00; 2370.00] |
|
|
| Inp | 2370.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Tboil | 632.37 | K | Relay (1.0) Calculated Property |
| Tc | 840.67 | K | Relay (1.0) Calculated Property |
| Tfus | 262.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.196 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.47; 1104.22] | J/mol×K | [833.15; 1028.23] |
|
| Cp,gas | 1006.47 | J/mol×K | 833.15 | Joback Calculated Property |
| Cp,gas | 1025.53 | J/mol×K | 865.66 | Joback Calculated Property |
| Cp,gas | 1043.42 | J/mol×K | 898.18 | Joback Calculated Property |
| Cp,gas | 1060.20 | J/mol×K | 930.69 | Joback Calculated Property |
| Cp,gas | 1075.90 | J/mol×K | 963.20 | Joback Calculated Property |
| Cp,gas | 1090.56 | J/mol×K | 995.71 | Joback Calculated Property |
| Cp,gas | 1104.22 | J/mol×K | 1028.23 | Joback Calculated Property |
| η | [0.0000457; 0.0009154] | Pa×s | [445.07; 833.15] |
|
| η | 0.0009154 | Pa×s | 445.07 | Joback Calculated Property |
| η | 0.0004045 | Pa×s | 509.75 | Joback Calculated Property |
| η | 0.0002149 | Pa×s | 574.43 | Joback Calculated Property |
| η | 0.0001297 | Pa×s | 639.11 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 703.79 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 768.47 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 833.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, 5-pentadecyl ester.
Sources
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