- InChI
- InChI=1S/C14H26O4/c1-3-5-9-12-18-14(16)11-8-6-7-10-13(15)17-4-2/h3-12H2,1-2H3
- InChI Key
- DVSYQMUZHLOEMY-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCCOC(=O)CCCCCC(=O)OCC
- Molecular Weight1
- 258.35
- 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 | 0.8258 | Relay (1.0) Calculated Property | |
| ΔfG° | -553.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.233 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Inp | [1781.00; 1781.00] |
|
|
| Inp | 1781.00 | NIST | |
| Inp | 1781.00 | NIST | |
| Tboil | 559.48 | K | Relay (1.0) Calculated Property |
| Tc | 730.30 | K | Relay (1.0) Calculated Property |
| Tfus | 250.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.15; 757.82] | 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 | 4.09800e+01 | |||
| Coefficient B | 1.22424e+00 | |||
| Coefficient C | -5.48600e-04 | |||
| Coefficient D | 4.12000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 335.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 407.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 472.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 531.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 584.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 631.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 671.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 706.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 734.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 757.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031554; 0.0001590] | Pa×s | [332.20; 565.14] |
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 | -1.30077e+01 | |||
| Coefficient B | 2.40812e+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. | 332.20 | |||
| Temperature range, max. | 565.14 | |||
| η | 0.0031554 | Pa×s | 332.20 | Calculated Property |
| η | 0.0018685 | Pa×s | 358.08 | Calculated Property |
| η | 0.0011875 | Pa×s | 383.97 | Calculated Property |
| η | 0.0007991 | Pa×s | 409.85 | Calculated Property |
| η | 0.0005637 | Pa×s | 435.73 | Calculated Property |
| η | 0.0004135 | Pa×s | 461.61 | Calculated Property |
| η | 0.0003134 | Pa×s | 487.50 | Calculated Property |
| η | 0.0002443 | Pa×s | 513.38 | Calculated Property |
| η | 0.0001951 | Pa×s | 539.26 | Calculated Property |
| η | 0.0001590 | Pa×s | 565.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, ethyl pentyl ester.
Sources
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