- InChI
- InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3
- InChI Key
- BXCRLBBIZJSWNS-UHFFFAOYSA-N
- Formula
- C18H36O3
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCCO
- Molecular Weight1
- 300.48
- CAS
- 4219-49-2
- Other Names
-
- 2-Hydroxyethyl hexadecanoate
- 2-Hydroxyethyl palmitate
- Ethylene glycol monopalmitate
- Glycol monopalmitate
- Glycol palmitate
- Lanol P
- NSC 406556
- Palmitic acid, 2-hydroxyethyl ester
- Palmitoylglycol
- 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 | 1.1267 | Relay (1.0) Calculated Property | |
| ΔfG° | -346.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -891.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 277.790 | ml/mol | McGowan Calculated Property |
| Pc | 1232.01 | kPa | Joback Calculated Property |
| Inp | [2200.00; 2214.00] |
|
|
| Inp | 2200.00 | NIST | |
| Inp | 2214.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2214.00 | NIST | |
| Tboil | 614.88 | K | Relay (1.0) Calculated Property |
| Tc | 803.15 | K | Relay (1.0) Calculated Property |
| Tfus | 324.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.074 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.17; 974.75] | 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 | 1.72260e+01 | |||
| Coefficient B | 1.69302e+00 | |||
| Coefficient C | -8.91200e-04 | |||
| Coefficient D | 1.55700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 416.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 511.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 803.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 856.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 902.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 941.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 974.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0240166; 0.0000397] | Pa×s | [324.15; 654.43] |
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 | -1.64226e+01 | |||
| Coefficient B | 4.11463e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 324.15 | |||
| Temperature range, max. | 654.43 | |||
| η | 0.0240166 | Pa×s | 324.15 | Calculated Property |
| η | 0.0066049 | Pa×s | 360.85 | Calculated Property |
| η | 0.0023053 | Pa×s | 397.55 | Calculated Property |
| η | 0.0009613 | Pa×s | 434.24 | Calculated Property |
| η | 0.0004594 | Pa×s | 470.94 | Calculated Property |
| η | 0.0002443 | Pa×s | 507.64 | Calculated Property |
| η | 0.0001414 | Pa×s | 544.34 | Calculated Property |
| η | 0.0000877 | Pa×s | 581.04 | Calculated Property |
| η | 0.0000576 | Pa×s | 617.73 | Calculated Property |
| η | 0.0000397 | Pa×s | 654.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 2-hydroxyethyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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