- InChI
- InChI=1S/C20H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-24-20(22)17-15-16-19(21)23-4-2/h3-18H2,1-2H3
- InChI Key
- XBGQLROVKJIBLY-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
- CCCCCCCCCCCCCOC(=O)CCCC(=O)OCC
- 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 | 1.0350 | Relay (1.0) Calculated Property | |
| ΔfG° | -503.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1072.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.574 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Inp | 2419.00 | NIST | |
| Tboil | 615.02 | K | Relay (1.0) Calculated Property |
| Tc | 786.24 | K | Relay (1.0) Calculated Property |
| Tfus | 283.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.204 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.43; 1067.37] | 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 | 3.55260e+01 | |||
| Coefficient B | 1.79424e+00 | |||
| Coefficient C | -8.75000e-04 | |||
| Coefficient D | 1.12600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 462.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 565.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 659.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 743.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 818.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 884.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 941.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 991.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1032.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1067.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015283; 0.0000785] | Pa×s | [399.82; 665.53] |
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 | -1.39197e+01 | |||
| Coefficient B | 2.97308e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 399.82 | |||
| Temperature range, max. | 665.53 | |||
| η | 0.0015283 | Pa×s | 399.82 | Calculated Property |
| η | 0.0009165 | Pa×s | 429.34 | Calculated Property |
| η | 0.0005870 | Pa×s | 458.87 | Calculated Property |
| η | 0.0003968 | Pa×s | 488.39 | Calculated Property |
| η | 0.0002804 | Pa×s | 517.92 | Calculated Property |
| η | 0.0002058 | Pa×s | 547.44 | Calculated Property |
| η | 0.0001558 | Pa×s | 576.96 | Calculated Property |
| η | 0.0001213 | Pa×s | 606.49 | Calculated Property |
| η | 0.0000966 | Pa×s | 636.01 | Calculated Property |
| η | 0.0000785 | Pa×s | 665.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl tridecyl ester.
Sources
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