- InChI
- InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-19-24-22(23)21-17-15-20(4-2)16-18-21/h15-18H,3-14,19H2,1-2H3
- InChI Key
- AQNSHAJHSGGDKW-UHFFFAOYSA-N
- Formula
- C22H36O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccc(CC)cc
1 - Molecular Weight1
- 332.52
- 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 | 1.0057 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.717 | Crippen Calculated Property | |
| McVol | 304.520 | ml/mol | McGowan Calculated Property |
| Pc | 1135.20 | kPa | Joback Calculated Property |
| Inp | [2502.20; 2502.20] |
|
|
| Inp | 2502.20 | NIST | |
| Inp | 2502.20 | NIST | |
| Tboil | 634.68 | K | Relay (1.0) Calculated Property |
| Tc | 833.94 | K | Relay (1.0) Calculated Property |
| Tfus | 284.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.18; 1041.52] | J/mol×K | [810.71; 1003.02] |
|
| Cp,gas | 945.18 | J/mol×K | 810.71 | Joback Calculated Property |
| Cp,gas | 963.86 | J/mol×K | 842.76 | Joback Calculated Property |
| Cp,gas | 981.43 | J/mol×K | 874.81 | Joback Calculated Property |
| Cp,gas | 997.95 | J/mol×K | 906.87 | Joback Calculated Property |
| Cp,gas | 1013.45 | J/mol×K | 938.92 | Joback Calculated Property |
| Cp,gas | 1027.96 | J/mol×K | 970.97 | Joback Calculated Property |
| Cp,gas | 1041.52 | J/mol×K | 1003.02 | Joback Calculated Property |
| η | [0.0000571; 0.0008656] | Pa×s | [448.80; 810.71] |
|
| η | 0.0008656 | Pa×s | 448.80 | Joback Calculated Property |
| η | 0.0004208 | Pa×s | 509.12 | Joback Calculated Property |
| η | 0.0002383 | Pa×s | 569.44 | Joback Calculated Property |
| η | 0.0001505 | Pa×s | 629.75 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 690.07 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 750.39 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 810.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, tridecyl ester.
Sources
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