- InChI
- InChI=1S/C37H72O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(38)35(37(39)40-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3
- InChI Key
- QSOSUDRRPSNGFF-UHFFFAOYSA-N
- Formula
- C37H72O3
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC
CCCCCCCCCC)C(=O)OC - Molecular Weight1
- 564.97
- CAS
- 10126-69-9
- 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).
- 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 | 1.4979 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1228.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 92.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 164.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.478 | Crippen Calculated Property | |
| McVol | 541.200 | ml/mol | McGowan Calculated Property |
| Pc | 461.89 | kPa | Joback Calculated Property |
| Tboil | 704.90 | K | Relay (1.0) Calculated Property |
| Tc | 900.57 | K | Relay (1.0) Calculated Property |
| Tfus | 354.21 | K | Relay (1.0) Calculated Property |
| Vc | 2.055 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2041.16; 2184.79] | J/mol×K | [1175.68; 1563.75] | 
|
| Cp,gas | 2041.16 | J/mol×K | 1175.68 | Joback Calculated Property |
| Cp,gas | 2074.05 | J/mol×K | 1240.36 | Joback Calculated Property |
| Cp,gas | 2102.59 | J/mol×K | 1305.04 | Joback Calculated Property |
| Cp,gas | 2127.36 | J/mol×K | 1369.72 | Joback Calculated Property |
| Cp,gas | 2148.93 | J/mol×K | 1434.40 | Joback Calculated Property |
| Cp,gas | 2167.88 | J/mol×K | 1499.07 | Joback Calculated Property |
| Cp,gas | 2184.79 | J/mol×K | 1563.75 | Joback Calculated Property |
| η | [0.0000045; 0.0001439] | Pa×s | [613.84; 1175.68] |
|
| η | 0.0001439 | Pa×s | 613.84 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 707.48 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 801.12 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 894.76 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 988.40 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 1082.04 | Joback Calculated Property |
| η | 0.0000045 | Pa×s | 1175.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha-stearoyl stearic acid, methyl ester.
Sources
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