- InChI
- InChI=1S/C29H56O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-33-29(31)26-23-20-17-16-19-22-25-28(30)32-4-2/h3-27H2,1-2H3
- InChI Key
- FHHYYLFJQZPUPL-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
CC(=O)OCC - Molecular Weight1
- 468.75
- 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 | 1.3534 | Relay (1.0) Calculated Property | |
| ΔfG° | -427.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1252.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.085 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 627.51 | kPa | Joback Calculated Property |
| Inp | 3296.00 | NIST | |
| Tboil | 668.33 | K | Relay (1.0) Calculated Property |
| Tc | 844.97 | K | Relay (1.0) Calculated Property |
| Tfus | 313.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.702 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.36; 1531.68] | 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 | 2.73450e+01 | |||
| Coefficient B | 2.64924e+00 | |||
| Coefficient C | -1.36460e-03 | |||
| Coefficient D | 2.19700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 653.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 803.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 938.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1060.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1168.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1263.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1346.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1418.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1480.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1531.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004201; 0.0000181] | Pa×s | [501.25; 853.15] |
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 | -1.53969e+01 | |||
| Coefficient B | 3.82052e+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. | 501.25 | |||
| Temperature range, max. | 853.15 | |||
| η | 0.0004201 | Pa×s | 501.25 | Calculated Property |
| η | 0.0002420 | Pa×s | 540.35 | Calculated Property |
| η | 0.0001502 | Pa×s | 579.45 | Calculated Property |
| η | 0.0000990 | Pa×s | 618.55 | Calculated Property |
| η | 0.0000686 | Pa×s | 657.65 | Calculated Property |
| η | 0.0000495 | Pa×s | 696.75 | Calculated Property |
| η | 0.0000370 | Pa×s | 735.85 | Calculated Property |
| η | 0.0000285 | Pa×s | 774.95 | Calculated Property |
| η | 0.0000225 | Pa×s | 814.05 | Calculated Property |
| η | 0.0000181 | Pa×s | 853.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl heptadecyl ester.
Sources
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