- InChI
- InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h3-20H2,1-2H3
- InChI Key
- YTXCAJNHPVBVDJ-UHFFFAOYSA-N
- Formula
- C21H42O2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)CC
- Molecular Weight1
- 326.56
- Other Names
-
- Octadecyl propionate
- 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.
- I : 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 | 1.0060 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.201 | Crippen Calculated Property | |
| McVol | 314.190 | ml/mol | McGowan Calculated Property |
| Pc | 959.10 | kPa | Joback Calculated Property |
| Inp | [2262.00; 2291.00] |
|
|
| Inp | 2285.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Inp | 2278.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Inp | Outlier 2262.00 | NIST | |
| Inp | 2291.00 | NIST | |
| Inp | 2291.00 | NIST | |
| I | [2550.00; 2577.00] |
|
|
| I | 2550.00 | NIST | |
| I | 2570.00 | NIST | |
| I | 2574.00 | NIST | |
| I | 2577.00 | NIST | |
| I | 2560.00 | NIST | |
| I | 2550.00 | NIST | |
| Tboil | 596.47 | K | Relay (1.0) Calculated Property |
| Tc | 782.89 | K | Relay (1.0) Calculated Property |
| Tfus | 302.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.243 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.31; 1110.85] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 9.20800e+00 | |||
| Coefficient B | 1.94404e+00 | |||
| Coefficient C | -1.02400e-03 | |||
| Coefficient D | 1.81600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 467.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 576.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 675.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 763.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 842.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 912.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 973.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1026.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1072.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1110.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021582; 0.0001020] | Pa×s | [368.76; 636.11] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.33994e+01 | |||
| Coefficient B | 2.67752e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 368.76 | |||
| Temperature range, max. | 636.11 | |||
| η | 0.0021582 | Pa×s | 368.76 | Calculated Property |
| η | 0.0012560 | Pa×s | 398.47 | Calculated Property |
| η | 0.0007880 | Pa×s | 428.17 | Calculated Property |
| η | 0.0005252 | Pa×s | 457.88 | Calculated Property |
| η | 0.0003678 | Pa×s | 487.58 | Calculated Property |
| η | 0.0002683 | Pa×s | 517.29 | Calculated Property |
| η | 0.0002026 | Pa×s | 547.00 | Calculated Property |
| η | 0.0001574 | Pa×s | 576.70 | Calculated Property |
| η | 0.0001254 | Pa×s | 606.41 | Calculated Property |
| η | 0.0001020 | Pa×s | 636.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, octadecyl ester.
Sources
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