- 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
- Pimelic acid diethyl ester
- Heptanedioic 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° | -426.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.47 | 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 | 2100.34 | 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 | 694.47 | K | Relay (1.0) Calculated Property |
| Tfus | 252.80 ± 0.60 | K | NIST |
| Vc | 0.704 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.03; 539.69] | J/mol×K | [603.66; 782.25] |
|
| Cp,gas | 465.03 | J/mol×K | 603.66 | Joback Calculated Property |
| Cp,gas | 478.94 | J/mol×K | 633.43 | Joback Calculated Property |
| Cp,gas | 492.26 | J/mol×K | 663.19 | Joback Calculated Property |
| Cp,gas | 505.00 | J/mol×K | 692.96 | Joback Calculated Property |
| Cp,gas | 517.15 | J/mol×K | 722.72 | Joback Calculated Property |
| Cp,gas | 528.71 | J/mol×K | 752.49 | Joback Calculated Property |
| Cp,gas | 539.69 | J/mol×K | 782.25 | Joback Calculated Property |
| η | [0.0001703; 0.0018153] | Pa×s | [358.05; 603.66] |
|
| η | 0.0018153 | Pa×s | 358.05 | Joback Calculated Property |
| η | 0.0009995 | Pa×s | 398.99 | Joback Calculated Property |
| η | 0.0006149 | Pa×s | 439.92 | Joback Calculated Property |
| η | 0.0004109 | Pa×s | 480.86 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 521.79 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 562.73 | Joback Calculated Property |
| η | 0.0001703 | Pa×s | 603.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 466.20 | K | 13.30 | NIST |
Similar Compounds
Find more compounds similar to Diethyl pimelate.
Sources
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