- InChI
- InChI=1S/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3
- InChI Key
- RITHLQKJQSKUAO-UHFFFAOYSA-N
- Formula
- C19H38O4
- SMILES
- CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC
- Molecular Weight1
- 330.50
- CAS
- 1115-01-1
- Other Names
-
- Methyl 9,10-dihydroxystearate
- methyl 9,10-dihydroxyoctadecanoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -403.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.39 | Crippen Calculated Property | |
| logPoct/wat | 4.363 | Crippen Calculated Property | |
| McVol | 297.750 | ml/mol | McGowan Calculated Property |
| Pc | 1279.16 | kPa | Joback Calculated Property |
| Inp | [2612.00; 2612.00] |
|
|
| Inp | 2612.00 | NIST | |
| Inp | 2612.00 | NIST | |
| Tboil | 893.89 | K | Joback Calculated Property |
| Tc | 1097.23 | K | Joback Calculated Property |
| Tfus | 467.69 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [996.66; 1081.55] | J/mol×K | [893.89; 1097.23] |
|
| Cp,gas | 996.66 | J/mol×K | 893.89 | Joback Calculated Property |
| Cp,gas | 1013.40 | J/mol×K | 927.78 | Joback Calculated Property |
| Cp,gas | 1029.05 | J/mol×K | 961.67 | Joback Calculated Property |
| Cp,gas | 1043.66 | J/mol×K | 995.56 | Joback Calculated Property |
| Cp,gas | 1057.25 | J/mol×K | 1029.45 | Joback Calculated Property |
| Cp,gas | 1069.86 | J/mol×K | 1063.34 | Joback Calculated Property |
| Cp,gas | 1081.55 | J/mol×K | 1097.23 | Joback Calculated Property |
| η | [0.0000015; 0.0006691] | Pa×s | [467.69; 893.89] |
|
| η | 0.0006691 | Pa×s | 467.69 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 538.72 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 609.76 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 680.79 | Joback Calculated Property |
| η | 0.0000053 | Pa×s | 751.82 | Joback Calculated Property |
| η | 0.0000027 | Pa×s | 822.86 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 893.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, 9,10-dihydroxy-, methyl ester.
Sources
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