- InChI
- InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3
- InChI Key
- LKKOGZVQGQUVHF-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCOC(=O)CCCCCC(=O)OCC
- Molecular Weight1
- 216.27
- CAS
- 2050-20-6
- Other Names
-
- 1,5-Pentanedicarboxylic acid diethyl ester
- Heptanedioic acid, diethyl ester
- Pimelic acid diethyl ester
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.7199 | Relay (1.0) Calculated Property | |
| ΔfG° | -579.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.063 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [1453.00; 1480.00] |
|
|
| Inp | 1453.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Tboil | 530.17 | K | Relay (1.0) Calculated Property |
| Tc | 697.37 | K | Relay (1.0) Calculated Property |
| Tfus | [249.15; 252.80] | K |
|
| Tfus | 249.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 252.80 ± 0.60 | K | NIST |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 466.20 | K | 13.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.51; 603.05] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.37070e+01 | |||
| Coefficient B | 9.39240e-01 | |||
| Coefficient C | -3.85400e-04 | |||
| Coefficient D | 5.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 328.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 426.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 467.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 504.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 536.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 563.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 585.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 603.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0162622; 0.0002051] | Pa×s | [250.98; 518.93] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.25884e+01 | |||
| Coefficient B | 2.12564e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 250.98 | |||
| Temperature range, max. | 518.93 | |||
| η | 0.0162622 | Pa×s | 250.98 | Calculated Property |
| η | 0.0066239 | Pa×s | 280.75 | Calculated Property |
| η | 0.0032051 | Pa×s | 310.52 | Calculated Property |
| η | 0.0017609 | Pa×s | 340.29 | Calculated Property |
| η | 0.0010653 | Pa×s | 370.06 | Calculated Property |
| η | 0.0006946 | Pa×s | 399.84 | Calculated Property |
| η | 0.0004805 | Pa×s | 429.61 | Calculated Property |
| η | 0.0003487 | Pa×s | 459.38 | Calculated Property |
| η | 0.0002631 | Pa×s | 489.15 | Calculated Property |
| η | 0.0002051 | Pa×s | 518.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl pimelate.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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