- InChI
- InChI=1S/C18H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2,20)17(19)21-3/h20H,4-16H2,1-3H3
- InChI Key
- LJDOGPABVJTNTI-UHFFFAOYSA-N
- Formula
- C18H36O3
- SMILES
- CCCCCCCCCCCCCCC(C)(O)C(=O)OC
- Molecular Weight1
- 300.48
- 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° | -267.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 5.002 | Crippen Calculated Property | |
| McVol | 277.790 | ml/mol | McGowan Calculated Property |
| Pc | 1285.59 | kPa | Joback Calculated Property |
| Inp | [2025.00; 2025.00] |
|
|
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Tboil | 776.48 | K | Joback Calculated Property |
| Tc | 954.68 | K | Joback Calculated Property |
| Tfus | 428.02 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [867.90; 957.21] | J/mol×K | [776.48; 954.68] |
|
| Cp,gas | 867.90 | J/mol×K | 776.48 | Joback Calculated Property |
| Cp,gas | 884.85 | J/mol×K | 806.18 | Joback Calculated Property |
| Cp,gas | 900.93 | J/mol×K | 835.88 | Joback Calculated Property |
| Cp,gas | 916.17 | J/mol×K | 865.58 | Joback Calculated Property |
| Cp,gas | 930.60 | J/mol×K | 895.28 | Joback Calculated Property |
| Cp,gas | 944.27 | J/mol×K | 924.98 | Joback Calculated Property |
| Cp,gas | 957.21 | J/mol×K | 954.68 | Joback Calculated Property |
| η | [0.0000144; 0.0013583] | Pa×s | [428.02; 776.48] |
|
| η | 0.0013583 | Pa×s | 428.02 | Joback Calculated Property |
| η | 0.0004052 | Pa×s | 486.10 | Joback Calculated Property |
| η | 0.0001565 | Pa×s | 544.17 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 602.25 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 660.33 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 718.40 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 776.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 2-hydroxy-2-methyl, methyl ester.
Sources
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