- InChI
- InChI=1S/C21H40O4/c1-3-5-6-7-10-13-16-19-25-21(23)18-15-12-9-8-11-14-17-20(22)24-4-2/h3-19H2,1-2H3
- InChI Key
- XTIQWTDYLWRFAN-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)OC
C - Molecular Weight1
- 356.54
- 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 | 1.0723 | Relay (1.0) Calculated Property | |
| ΔfG° | -494.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1093.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.964 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 962.08 | kPa | Joback Calculated Property |
| Inp | [2527.00; 2527.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 616.20 | K | Relay (1.0) Calculated Property |
| Tc | 792.02 | K | Relay (1.0) Calculated Property |
| Tfus | 288.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.65; 1118.96] | 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 | 3.46170e+01 | |||
| Coefficient B | 1.88924e+00 | |||
| Coefficient C | -9.29400e-04 | |||
| Coefficient D | 1.24500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 483.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 592.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 690.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 778.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 856.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 926.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 986.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1038.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1082.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1118.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013370; 0.0000682] | Pa×s | [411.09; 683.75] |
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 | -1.40785e+01 | |||
| Coefficient B | 3.06724e+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. | 411.09 | |||
| Temperature range, max. | 683.75 | |||
| η | 0.0013370 | Pa×s | 411.09 | Calculated Property |
| η | 0.0008012 | Pa×s | 441.39 | Calculated Property |
| η | 0.0005127 | Pa×s | 471.68 | Calculated Property |
| η | 0.0003463 | Pa×s | 501.98 | Calculated Property |
| η | 0.0002446 | Pa×s | 532.27 | Calculated Property |
| η | 0.0001793 | Pa×s | 562.57 | Calculated Property |
| η | 0.0001357 | Pa×s | 592.86 | Calculated Property |
| η | 0.0001055 | Pa×s | 623.16 | Calculated Property |
| η | 0.0000840 | Pa×s | 653.45 | Calculated Property |
| η | 0.0000682 | Pa×s | 683.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl nonyl ester.
Sources
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