- InChI
- InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
- InChI Key
- SSZBUIDZHHWXNJ-UHFFFAOYSA-N
- Formula
- C34H68O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC
CCCCCCCCC - Molecular Weight1
- 508.90
- CAS
- 1190-63-2
- Other Names
-
- Octadecanoic acid, hexadecyl ester
- Stearic acid, hexadecyl ester
- Hexadecyl octadecanoate
- Hexadecyl stearate
- Wickenol 121
- n-Hexadecyl stearate
- Schercemol CS
- Palmityl stearate
- 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 | 1.4663 | Relay (1.0) Calculated Property | |
| ΔfG° | 1.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 86.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.272 | Crippen Calculated Property | |
| McVol | 497.360 | ml/mol | McGowan Calculated Property |
| Pc | 508.18 | kPa | Joback Calculated Property |
| Inp | 3546.45 | NIST | |
| Tboil | 682.15 | K | Relay (1.0) Calculated Property |
| Tc | 865.19 | K | Relay (1.0) Calculated Property |
| Tfus | 330.00 ± 0.50 | K | NIST |
| Vc | 1.957 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1818.58; 1966.09] | J/mol×K | [1053.61; 1347.22] | 
|
| Cp,gas | 1818.58 | J/mol×K | 1053.61 | Joback Calculated Property |
| Cp,gas | 1849.65 | J/mol×K | 1102.55 | Joback Calculated Property |
| Cp,gas | 1877.82 | J/mol×K | 1151.48 | Joback Calculated Property |
| Cp,gas | 1903.31 | J/mol×K | 1200.42 | Joback Calculated Property |
| Cp,gas | 1926.37 | J/mol×K | 1249.35 | Joback Calculated Property |
| Cp,gas | 1947.21 | J/mol×K | 1298.29 | Joback Calculated Property |
| Cp,gas | 1966.09 | J/mol×K | 1347.22 | Joback Calculated Property |
| η | [0.0000089; 0.0002762] | Pa×s | [545.10; 1053.61] |
|
| η | 0.0002762 | Pa×s | 545.10 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 629.85 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 714.60 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 799.36 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 884.11 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 968.86 | Joback Calculated Property |
| η | 0.0000089 | Pa×s | 1053.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cetyl stearate.
Sources
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