- InChI
- InChI=1S/C25H48O4/c1-4-5-6-7-10-13-16-21-28-24(26)19-14-11-8-9-12-15-20-25(27)29-22-17-18-23(2)3/h23H,4-22H2,1-3H3
- InChI Key
- MMLGKEOTQPDYTM-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)OC
CCC(C)C - Molecular Weight1
- 412.65
- 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 | 1.1884 | Relay (1.0) Calculated Property | |
| ΔfG° | -463.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1184.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.380 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 771.60 | kPa | Joback Calculated Property |
| Inp | 2875.00 | NIST | |
| Tboil | 645.73 | K | Relay (1.0) Calculated Property |
| Tc | 818.18 | K | Relay (1.0) Calculated Property |
| Tfus | 286.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.462 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.19; 1325.86] | 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 | 2.92990e+01 | |||
| Coefficient B | 2.27516e+00 | |||
| Coefficient C | -1.15020e-03 | |||
| Coefficient D | 1.71600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 568.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 697.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 814.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 919.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1013.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1095.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1167.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1229.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1282.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1325.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009393; 0.0000339] | Pa×s | [441.17; 761.60] |
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 | -1.48624e+01 | |||
| Coefficient B | 3.48170e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 441.17 | |||
| Temperature range, max. | 761.60 | |||
| η | 0.0009393 | Pa×s | 441.17 | Calculated Property |
| η | 0.0005210 | Pa×s | 476.77 | Calculated Property |
| η | 0.0003137 | Pa×s | 512.38 | Calculated Property |
| η | 0.0002017 | Pa×s | 547.98 | Calculated Property |
| η | 0.0001369 | Pa×s | 583.58 | Calculated Property |
| η | 0.0000971 | Pa×s | 619.18 | Calculated Property |
| η | 0.0000716 | Pa×s | 654.79 | Calculated Property |
| η | 0.0000544 | Pa×s | 690.39 | Calculated Property |
| η | 0.0000425 | Pa×s | 725.99 | Calculated Property |
| η | 0.0000339 | Pa×s | 761.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, nonyl isohexyl ester.
Sources
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