- InChI
- InChI=1S/C20H38O4/c1-5-7-9-11-14-18(4)24-20(22)16-12-15-19(21)23-17(3)13-10-8-6-2/h17-18H,5-16H2,1-4H3
- InChI Key
- ODMWWUFLZQYLEZ-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCCC(C)OC(=O)CCCC(=O)OC(C)C
CCCC - Molecular Weight1
- 342.51
- 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 | 0.9636 | Relay (1.0) Calculated Property | |
| ΔfG° | -508.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1115.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.571 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1032.57 | kPa | Joback Calculated Property |
| Inp | [2153.00; 2153.00] |
|
|
| Inp | 2153.00 | NIST | |
| Inp | 2153.00 | NIST | |
| Tboil | 593.86 | K | Relay (1.0) Calculated Property |
| Tc | 776.49 | K | Relay (1.0) Calculated Property |
| Tfus | 255.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.186 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.80; 1068.44] | 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 | 3.21620e+01 | |||
| Coefficient B | 1.80608e+00 | |||
| Coefficient C | -8.81400e-04 | |||
| Coefficient D | 1.11600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 461.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 565.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 659.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 744.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 819.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 885.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 943.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 992.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1034.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1068.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026218; 0.0000669] | Pa×s | [369.82; 666.28] |
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 | -1.41877e+01 | |||
| Coefficient B | 3.04872e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 369.82 | |||
| Temperature range, max. | 666.28 | |||
| η | 0.0026218 | Pa×s | 369.82 | Calculated Property |
| η | 0.0013360 | Pa×s | 402.76 | Calculated Property |
| η | 0.0007538 | Pa×s | 435.70 | Calculated Property |
| η | 0.0004609 | Pa×s | 468.64 | Calculated Property |
| η | 0.0003007 | Pa×s | 501.58 | Calculated Property |
| η | 0.0002067 | Pa×s | 534.52 | Calculated Property |
| η | 0.0001485 | Pa×s | 567.46 | Calculated Property |
| η | 0.0001106 | Pa×s | 600.40 | Calculated Property |
| η | 0.0000849 | Pa×s | 633.34 | Calculated Property |
| η | 0.0000669 | Pa×s | 666.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-octyl ester.
Sources
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