- InChI
- InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)25-20-19-21(2)24-3/h21H,4-20H2,1-3H3
- InChI Key
- JUBSFVZZAYGGLO-UHFFFAOYSA-N
- Formula
- C22H44O3
- SMILES
- CCCCCCCCCCCCCCCCC(=O)OCCC(C)OC
- Molecular Weight1
- 356.58
- 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 | 1.0337 | Relay (... Calculated Property | |
| ΔfG° | -207.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.85 | kJ/mol | Relay (... Calculated Property |
| IE | 9.47 | eV | Relay (... Calculated Property |
| log10WS | -5.98 | Relay (... Calculated Property | |
| logPoct/wat | 6.826 | Crippen Calculated Property | |
| McVol | 334.150 | ml/mol | McGowan Calculated Property |
| Pc | 922.18 | kPa | Joback Calculated Property |
| Inp | [2422.00; 2422.00] |
|
|
| Inp | 2422.00 | NIST | |
| Inp | 2422.00 | NIST | |
| Tboil | 616.09 | K | Relay (... Calculated Property |
| Tc | 794.95 | K | Relay (... Calculated Property |
| Tfus | 290.98 | K | Relay (... Calculated Property |
| Vc | 1.291 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.16; 1172.19] | J/mol×K | [801.03; 981.83] |
|
| Cp,gas | 1065.16 | J/mol×K | 801.03 | Joback Calculated Property |
| Cp,gas | 1085.69 | J/mol×K | 831.16 | Joback Calculated Property |
| Cp,gas | 1105.11 | J/mol×K | 861.30 | Joback Calculated Property |
| Cp,gas | 1123.45 | J/mol×K | 891.43 | Joback Calculated Property |
| Cp,gas | 1140.73 | J/mol×K | 921.57 | Joback Calculated Property |
| Cp,gas | 1156.97 | J/mol×K | 951.70 | Joback Calculated Property |
| Cp,gas | 1172.19 | J/mol×K | 981.83 | Joback Calculated Property |
| η | [0.0000384; 0.0010883] | Pa×s | [417.09; 801.03] |
|
| η | 0.0010883 | Pa×s | 417.09 | Joback Calculated Property |
| η | 0.0004302 | Pa×s | 481.08 | Joback Calculated Property |
| η | 0.0002115 | Pa×s | 545.07 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 609.06 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 673.05 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 737.04 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 801.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl heptadecanoate.
Sources
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