- InChI
- InChI=1S/C23H46O2/c1-4-19-22(2)20-17-15-13-11-9-7-5-6-8-10-12-14-16-18-21-23(24)25-3/h22H,4-21H2,1-3H3
- InChI Key
- MZZKHEPMQONWKQ-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
- CCCC(C)CCCCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 354.62
- 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 | 1.0200 | Relay (1.0) Calculated Property | |
| ΔfG° | -170.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.837 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 858.47 | kPa | Joback Calculated Property |
| Inp | [2385.00; 2385.00] |
|
|
| Inp | 2385.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Tboil | 608.99 | K | Relay (1.0) Calculated Property |
| Tc | 800.60 | K | Relay (1.0) Calculated Property |
| Tfus | 294.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.312 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1083.65; 1194.86] | J/mol×K | [783.62; 960.85] |
|
| Cp,gas | 1083.65 | J/mol×K | 783.62 | Joback Calculated Property |
| Cp,gas | 1104.85 | J/mol×K | 813.16 | Joback Calculated Property |
| Cp,gas | 1124.95 | J/mol×K | 842.70 | Joback Calculated Property |
| Cp,gas | 1143.96 | J/mol×K | 872.24 | Joback Calculated Property |
| Cp,gas | 1161.94 | J/mol×K | 901.78 | Joback Calculated Property |
| Cp,gas | 1178.89 | J/mol×K | 931.31 | Joback Calculated Property |
| Cp,gas | 1194.86 | J/mol×K | 960.85 | Joback Calculated Property |
| η | [0.0000393; 0.0021709] | Pa×s | [376.30; 783.62] |
|
| η | 0.0021709 | Pa×s | 376.30 | Joback Calculated Property |
| η | 0.0006675 | Pa×s | 444.19 | Joback Calculated Property |
| η | 0.0002806 | Pa×s | 512.07 | Joback Calculated Property |
| η | 0.0001445 | Pa×s | 579.96 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 647.85 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 715.73 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 783.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eicosanoic acid, 18-methyl, methyl ester.
Sources
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