- InChI
- InChI=1S/C21H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-18-20(2)23-3/h20H,4-19H2,1-3H3
- InChI Key
- FRLKXSOOBQXFAX-UHFFFAOYSA-N
- Formula
- C21H42O3
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCCC(C)OC
- Molecular Weight1
- 342.56
- 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 | 0.9984 | Relay (... Calculated Property | |
| ΔfG° | -215.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -910.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.44 | eV | Relay (... Calculated Property |
| log10WS | -5.63 | Relay (... Calculated Property | |
| logPoct/wat | 6.436 | Crippen Calculated Property | |
| McVol | 320.060 | ml/mol | McGowan Calculated Property |
| Pc | 978.40 | kPa | Joback Calculated Property |
| Inp | [2323.00; 2323.00] |
|
|
| Inp | 2323.00 | NIST | |
| Inp | 2323.00 | NIST | |
| Tboil | 609.25 | K | Relay (... Calculated Property |
| Tc | 787.12 | K | Relay (... Calculated Property |
| Tfus | 286.06 | K | Relay (... Calculated Property |
| Vc | 1.235 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1003.15; 1108.40] | J/mol×K | [778.15; 955.58] |
|
| Cp,gas | 1003.15 | J/mol×K | 778.15 | Joback Calculated Property |
| Cp,gas | 1023.21 | J/mol×K | 807.72 | Joback Calculated Property |
| Cp,gas | 1042.25 | J/mol×K | 837.29 | Joback Calculated Property |
| Cp,gas | 1060.26 | J/mol×K | 866.86 | Joback Calculated Property |
| Cp,gas | 1077.28 | J/mol×K | 896.43 | Joback Calculated Property |
| Cp,gas | 1093.32 | J/mol×K | 926.00 | Joback Calculated Property |
| Cp,gas | 1108.40 | J/mol×K | 955.58 | Joback Calculated Property |
| η | [0.0000444; 0.0012278] | Pa×s | [405.82; 778.15] |
|
| η | 0.0012278 | Pa×s | 405.82 | Joback Calculated Property |
| η | 0.0004891 | Pa×s | 467.88 | Joback Calculated Property |
| η | 0.0002417 | Pa×s | 529.93 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 591.99 | Joback Calculated Property |
| η | 0.0000882 | Pa×s | 654.04 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 716.10 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 778.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl palmitate.
Sources
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