- InChI
- InChI=1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
- InChI Key
- IAAPBHVWQFGAED-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCC(C)CCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 312.54
- 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 | 0.9207 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.667 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1024.00 | kPa | Joback Calculated Property |
| Inp | [2184.00; 2184.00] |
|
|
| Inp | 2184.00 | NIST | |
| Inp | 2184.00 | NIST | |
| Inp | 2184.00 | NIST | |
| Tboil | 589.61 | K | Relay (1.0) Calculated Property |
| Tc | 779.29 | K | Relay (1.0) Calculated Property |
| Tfus | 290.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.146 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [899.24; 1005.19] | J/mol×K | [714.98; 884.54] |
|
| Cp,gas | 899.24 | J/mol×K | 714.98 | Joback Calculated Property |
| Cp,gas | 919.20 | J/mol×K | 743.24 | Joback Calculated Property |
| Cp,gas | 938.21 | J/mol×K | 771.50 | Joback Calculated Property |
| Cp,gas | 956.29 | J/mol×K | 799.76 | Joback Calculated Property |
| Cp,gas | 973.47 | J/mol×K | 828.02 | Joback Calculated Property |
| Cp,gas | 989.76 | J/mol×K | 856.28 | Joback Calculated Property |
| Cp,gas | 1005.19 | J/mol×K | 884.54 | Joback Calculated Property |
| η | [0.0000605; 0.0032635] | Pa×s | [342.49; 714.98] |
|
| η | 0.0032635 | Pa×s | 342.49 | Joback Calculated Property |
| η | 0.0010084 | Pa×s | 404.57 | Joback Calculated Property |
| η | 0.0004259 | Pa×s | 466.65 | Joback Calculated Property |
| η | 0.0002202 | Pa×s | 528.74 | Joback Calculated Property |
| η | 0.0001308 | Pa×s | 590.82 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 652.90 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 714.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, 16-methyl-, methyl ester.
Sources
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