- InChI
- InChI=1S/C22H44O2/c1-4-21(2)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
- InChI Key
- IOOSSZGDUSBSRF-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
- CCC(C)CCCCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 340.58
- 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 | 0.9909 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.447 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 908.89 | kPa | Joback Calculated Property |
| Inp | [2401.10; 2401.10] |
|
|
| Inp | 2401.10 | NIST | |
| Inp | 2401.10 | NIST | |
| Tboil | 603.61 | K | Relay (1.0) Calculated Property |
| Tc | 794.80 | K | Relay (1.0) Calculated Property |
| Tfus | 298.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.259 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1021.32; 1130.72] | J/mol×K | [760.74; 934.75] |
|
| Cp,gas | 1021.32 | J/mol×K | 760.74 | Joback Calculated Property |
| Cp,gas | 1042.08 | J/mol×K | 789.74 | Joback Calculated Property |
| Cp,gas | 1061.80 | J/mol×K | 818.74 | Joback Calculated Property |
| Cp,gas | 1080.49 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 1098.19 | J/mol×K | 876.74 | Joback Calculated Property |
| Cp,gas | 1114.92 | J/mol×K | 905.74 | Joback Calculated Property |
| Cp,gas | 1130.72 | J/mol×K | 934.75 | Joback Calculated Property |
| η | [0.0000455; 0.0024944] | Pa×s | [365.03; 760.74] |
|
| η | 0.0024944 | Pa×s | 365.03 | Joback Calculated Property |
| η | 0.0007682 | Pa×s | 430.98 | Joback Calculated Property |
| η | 0.0003234 | Pa×s | 496.93 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 562.88 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 628.84 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 694.79 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 760.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 18-methylicosanoate.
Sources
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