- InChI
- InChI=1S/C13H24O4/c1-3-5-6-7-11-17-13(15)10-8-9-12(14)16-4-2/h3-11H2,1-2H3
- InChI Key
- KBNRVIIJSGYIOI-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCCCCCOC(=O)CCCC(=O)OCC
- Molecular Weight1
- 244.33
- 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 | 0.7866 | Relay (1.0) Calculated Property | |
| ΔfG° | -562.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -938.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.843 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1657.84 | kPa | Joback Calculated Property |
| Inp | 1702.00 | NIST | |
| Tboil | 553.23 | K | Relay (1.0) Calculated Property |
| Tc | 720.97 | K | Relay (1.0) Calculated Property |
| Tfus | 242.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.94; 706.23] | 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 | 4.18890e+01 | |||
| Coefficient B | 1.12924e+00 | |||
| Coefficient C | -4.94200e-04 | |||
| Coefficient D | 2.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 313.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 441.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 496.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 545.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 588.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 626.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 658.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 685.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 706.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035024; 0.0001745] | Pa×s | [320.93; 549.53] |
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 | -1.28645e+01 | |||
| Coefficient B | 2.31396e+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. | 320.93 | |||
| Temperature range, max. | 549.53 | |||
| η | 0.0035024 | Pa×s | 320.93 | Calculated Property |
| η | 0.0020640 | Pa×s | 346.33 | Calculated Property |
| η | 0.0013075 | Pa×s | 371.73 | Calculated Property |
| η | 0.0008781 | Pa×s | 397.13 | Calculated Property |
| η | 0.0006186 | Pa×s | 422.53 | Calculated Property |
| η | 0.0004535 | Pa×s | 447.93 | Calculated Property |
| η | 0.0003437 | Pa×s | 473.33 | Calculated Property |
| η | 0.0002679 | Pa×s | 498.73 | Calculated Property |
| η | 0.0002140 | Pa×s | 524.13 | Calculated Property |
| η | 0.0001745 | Pa×s | 549.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl hexyl ester.
Sources
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