- InChI
- InChI=1S/C30H58O4/c1-4-5-6-7-8-9-10-11-12-15-18-21-26-33-29(31)24-19-16-13-14-17-20-25-30(32)34-27-22-23-28(2)3/h28H,4-27H2,1-3H3
- InChI Key
- MKEAIAYZKCODDS-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(
=O)OCCCC(C)C - Molecular Weight1
- 482.78
- 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 | 1.3642 | Relay (1.0) Calculated Property | |
| ΔfG° | -421.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1283.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.331 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 600.73 | kPa | Joback Calculated Property |
| Inp | 3404.00 | NIST | |
| Tboil | 678.21 | K | Relay (1.0) Calculated Property |
| Tc | 850.75 | K | Relay (1.0) Calculated Property |
| Tfus | 302.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.737 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.25; 1583.81] | 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 | 2.47540e+01 | |||
| Coefficient B | 2.75016e+00 | |||
| Coefficient C | -1.42220e-03 | |||
| Coefficient D | 2.31100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 674.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 829.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 970.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1095.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1207.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1306.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1392.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1467.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1530.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1583.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004282; 0.0000139] | Pa×s | [497.52; 875.73] |
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 | -1.57004e+01 | |||
| Coefficient B | 3.95250e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 497.52 | |||
| Temperature range, max. | 875.73 | |||
| η | 0.0004282 | Pa×s | 497.52 | Calculated Property |
| η | 0.0002306 | Pa×s | 539.54 | Calculated Property |
| η | 0.0001358 | Pa×s | 581.57 | Calculated Property |
| η | 0.0000859 | Pa×s | 623.59 | Calculated Property |
| η | 0.0000576 | Pa×s | 665.61 | Calculated Property |
| η | 0.0000405 | Pa×s | 707.64 | Calculated Property |
| η | 0.0000296 | Pa×s | 749.66 | Calculated Property |
| η | 0.0000224 | Pa×s | 791.68 | Calculated Property |
| η | 0.0000174 | Pa×s | 833.71 | Calculated Property |
| η | 0.0000139 | Pa×s | 875.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl tetradecyl ester.
Sources
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