- InChI
- InChI=1S/C18H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-18(19)21-16-15-17(2)20-3/h17H,4-16H2,1-3H3
- InChI Key
- TYILNKNHKJQXQP-UHFFFAOYSA-N
- Formula
- C18H36O3
- SMILES
- CCCCCCCCCCCCC(=O)OCCC(C)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° | -240.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 5.266 | Crippen Calculated Property | |
| McVol | 277.790 | ml/mol | McGowan Calculated Property |
| Pc | 1181.71 | kPa | Joback Calculated Property |
| Inp | [2023.00; 2023.00] |
|
|
| Inp | 2023.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Tboil | 709.51 | K | Joback Calculated Property |
| Tc | 880.87 | K | Joback Calculated Property |
| Tfus | 372.01 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.40; 922.36] | J/mol×K | [709.51; 880.87] |
|
| Cp,gas | 822.40 | J/mol×K | 709.51 | Joback Calculated Property |
| Cp,gas | 841.19 | J/mol×K | 738.07 | Joback Calculated Property |
| Cp,gas | 859.11 | J/mol×K | 766.63 | Joback Calculated Property |
| Cp,gas | 876.18 | J/mol×K | 795.19 | Joback Calculated Property |
| Cp,gas | 892.40 | J/mol×K | 823.75 | Joback Calculated Property |
| Cp,gas | 907.79 | J/mol×K | 852.31 | Joback Calculated Property |
| Cp,gas | 922.36 | J/mol×K | 880.87 | Joback Calculated Property |
| η | [0.0000674; 0.0017203] | Pa×s | [372.01; 709.51] |
|
| η | 0.0017203 | Pa×s | 372.01 | Joback Calculated Property |
| η | 0.0007033 | Pa×s | 428.26 | Joback Calculated Property |
| η | 0.0003539 | Pa×s | 484.51 | Joback Calculated Property |
| η | 0.0002054 | Pa×s | 540.76 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 597.01 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 653.26 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 709.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl tridecanoate.
Sources
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