- InChI
- InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h3-18H2,1-2H3
- InChI Key
- BEKZXQKGTDVSKX-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCCC
- Molecular Weight1
- 298.50
- CAS
- 2239-78-3
- Other Names
-
- Propyl hexadecanoate
- Propyl palmitate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.9379 | Relay (1.0) Calculated Property | |
| ΔfG° | -124.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.421 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1114.08 | kPa | Joback Calculated Property |
| Inp | [2065.00; 2094.00] |
|
|
| Inp | 2091.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Inp | 2091.30 | NIST | |
| Inp | 2094.00 | NIST | |
| Inp | 2072.00 | NIST | |
| Inp | 2065.00 | NIST | |
| Inp | 2077.00 | NIST | |
| I | [2335.00; 2348.00] |
|
|
| I | 2335.00 | NIST | |
| I | 2348.00 | NIST | |
| Tboil | 587.15 | K | Relay (1.0) Calculated Property |
| Tc | 764.43 | K | Relay (1.0) Calculated Property |
| Tfus | 292.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.126 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.69; 951.34] | J/mol×K | [710.41; 879.90] |
|
| Cp,gas | 848.69 | J/mol×K | 710.41 | Joback Calculated Property |
| Cp,gas | 867.91 | J/mol×K | 738.66 | Joback Calculated Property |
| Cp,gas | 886.25 | J/mol×K | 766.91 | Joback Calculated Property |
| Cp,gas | 903.75 | J/mol×K | 795.15 | Joback Calculated Property |
| Cp,gas | 920.41 | J/mol×K | 823.40 | Joback Calculated Property |
| Cp,gas | 936.27 | J/mol×K | 851.65 | Joback Calculated Property |
| Cp,gas | 951.34 | J/mol×K | 879.90 | Joback Calculated Property |
| η | [0.0000838; 0.0018384] | Pa×s | [376.05; 710.41] |
|
| η | 0.0018384 | Pa×s | 376.05 | Joback Calculated Property |
| η | 0.0007881 | Pa×s | 431.78 | Joback Calculated Property |
| η | 0.0004101 | Pa×s | 487.50 | Joback Calculated Property |
| η | 0.0002440 | Pa×s | 543.23 | Joback Calculated Property |
| η | 0.0001599 | Pa×s | 598.96 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 654.68 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 710.41 | Joback Calculated Property |
| ΔvapH | 74.50 | kJ/mol | 458.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [502.12; 648.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.83212e+01 | |||
| Coefficient B | -6.83183e+03 | |||
| Coefficient C | -1.23282e+02 | |||
| Temperature range, min. | 502.12 | |||
| Temperature range, max. | 648.41 | |||
| Pvap | 1.33 | kPa | 502.12 | Calculated Property |
| Pvap | 2.80 | kPa | 518.37 | Calculated Property |
| Pvap | 5.54 | kPa | 534.63 | Calculated Property |
| Pvap | 10.42 | kPa | 550.88 | Calculated Property |
| Pvap | 18.71 | kPa | 567.14 | Calculated Property |
| Pvap | 32.23 | kPa | 583.39 | Calculated Property |
| Pvap | 53.50 | kPa | 599.65 | Calculated Property |
| Pvap | 85.87 | kPa | 615.90 | Calculated Property |
| Pvap | 133.73 | kPa | 632.16 | Calculated Property |
| Pvap | 202.63 | kPa | 648.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, propyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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