- InChI
- InChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(21)23-18-17-19(2)22-3/h19H,4-18H2,1-3H3
- InChI Key
- AXCJHRVOWOZDEQ-UHFFFAOYSA-N
- Formula
- C20H40O3
- SMILES
- CCCCCCCCCCCCCCC(=O)OCCC(C)OC
- Molecular Weight1
- 328.53
- 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° | -223.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.29 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 6.046 | Crippen Calculated Property | |
| McVol | 305.970 | ml/mol | McGowan Calculated Property |
| Pc | 1039.91 | kPa | Joback Calculated Property |
| Inp | 2222.00 | NIST | |
| Tboil | 755.27 | K | Joback Calculated Property |
| Tc | 930.04 | K | Joback Calculated Property |
| Tfus | 394.55 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [941.96; 1045.47] | J/mol×K | [755.27; 930.04] | 
|
| Cp,gas | 941.96 | J/mol×K | 755.27 | Joback Calculated Property |
| Cp,gas | 961.59 | J/mol×K | 784.40 | Joback Calculated Property |
| Cp,gas | 980.25 | J/mol×K | 813.53 | Joback Calculated Property |
| Cp,gas | 997.95 | J/mol×K | 842.65 | Joback Calculated Property |
| Cp,gas | 1014.71 | J/mol×K | 871.78 | Joback Calculated Property |
| Cp,gas | 1030.55 | J/mol×K | 900.91 | Joback Calculated Property |
| Cp,gas | 1045.47 | J/mol×K | 930.04 | Joback Calculated Property |
| η | [0.0000512; 0.0013798] | Pa×s | [394.55; 755.27] |
|
| η | 0.0013798 | Pa×s | 394.55 | Joback Calculated Property |
| η | 0.0005542 | Pa×s | 454.67 | Joback Calculated Property |
| η | 0.0002755 | Pa×s | 514.79 | Joback Calculated Property |
| η | 0.0001585 | Pa×s | 574.91 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 635.03 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 695.15 | Joback Calculated Property |
| η | 0.0000512 | Pa×s | 755.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl pentadecanoate.
Sources
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