- InChI
- InChI=1S/C15H28O4/c1-5-12(3)13(4)19-15(17)11-9-7-8-10-14(16)18-6-2/h12-13H,5-11H2,1-4H3
- InChI Key
- LUTATOSWQCEUHJ-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
- CCOC(=O)CCCCCC(=O)OC(C)C(C)CC
- Molecular Weight1
- 272.38
- 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 | 0.7779 | Relay (... Calculated Property | |
| ΔfG° | -397.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1006.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.08 | kJ/mol | Relay (... Calculated Property |
| IE | 9.37 | eV | Relay (... Calculated Property |
| log10WS | -3.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.478 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | [1776.00; 1776.00] |
|
|
| Inp | 1776.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Tboil | 554.69 | K | Relay (... Calculated Property |
| Tc | 727.55 | K | Relay (... Calculated Property |
| Tfus | 237.95 | K | Relay (... Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.23; 765.47] | J/mol×K | [694.30; 874.56] |
|
| Cp,gas | 678.23 | J/mol×K | 694.30 | Joback Calculated Property |
| Cp,gas | 694.81 | J/mol×K | 724.34 | Joback Calculated Property |
| Cp,gas | 710.56 | J/mol×K | 754.39 | Joback Calculated Property |
| Cp,gas | 725.49 | J/mol×K | 784.43 | Joback Calculated Property |
| Cp,gas | 739.62 | J/mol×K | 814.47 | Joback Calculated Property |
| Cp,gas | 752.95 | J/mol×K | 844.52 | Joback Calculated Property |
| Cp,gas | 765.47 | J/mol×K | 874.56 | Joback Calculated Property |
| η | [0.0000905; 0.0020958] | Pa×s | [373.13; 694.30] |
|
| η | 0.0020958 | Pa×s | 373.13 | Joback Calculated Property |
| η | 0.0008937 | Pa×s | 426.66 | Joback Calculated Property |
| η | 0.0004608 | Pa×s | 480.19 | Joback Calculated Property |
| η | 0.0002714 | Pa×s | 533.71 | Joback Calculated Property |
| η | 0.0001760 | Pa×s | 587.24 | Joback Calculated Property |
| η | 0.0001227 | Pa×s | 640.77 | Joback Calculated Property |
| η | 0.0000905 | Pa×s | 694.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, ethyl 3-methyl-2-pentyl ester.
Sources
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