- InChI
- InChI=1S/C26H34O4/c1-3-21-13-11-15-23(19-21)29-25(27)17-9-7-5-6-8-10-18-26(28)30-24-16-12-14-22(4-2)20-24/h11-16,19-20H,3-10,17-18H2,1-2H3
- InChI Key
- IPGFBWALSOCWRT-UHFFFAOYSA-N
- Formula
- C26H34O4
- SMILES
-
CCc1cccc(OC(=O)CCCCCCCCC(=O)Oc
2cccc(CC)c2)c1 - Molecular Weight1
- 410.55
- 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).
- 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 | 1.1339 | Relay (1.0) Calculated Property | |
| ΔfG° | -247.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.443 | Crippen Calculated Property | |
| McVol | 344.560 | ml/mol | McGowan Calculated Property |
| Pc | 1059.64 | kPa | Joback Calculated Property |
| Inp | [3252.00; 3252.00] |
|
|
| Inp | 3252.00 | NIST | |
| Inp | 3252.00 | NIST | |
| Tboil | 690.96 | K | Relay (1.0) Calculated Property |
| Tc | 938.50 | K | Relay (1.0) Calculated Property |
| Tfus | 321.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.283 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.30; 1133.78] | 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 | -9.14000e+00 | |||
| Coefficient B | 2.08744e+00 | |||
| Coefficient C | -1.12972e-03 | |||
| Coefficient D | 1.85200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 480.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 596.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 699.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 791.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 872.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 943.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1004.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1056.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1098.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1133.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003066; 0.0000327] | Pa×s | [545.32; 837.12] |
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 | -1.45125e+01 | |||
| Coefficient B | 3.50236e+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. | 545.32 | |||
| Temperature range, max. | 837.12 | |||
| η | 0.0003066 | Pa×s | 545.32 | Calculated Property |
| η | 0.0002138 | Pa×s | 577.74 | Calculated Property |
| η | 0.0001549 | Pa×s | 610.16 | Calculated Property |
| η | 0.0001160 | Pa×s | 642.59 | Calculated Property |
| η | 0.0000893 | Pa×s | 675.01 | Calculated Property |
| η | 0.0000704 | Pa×s | 707.43 | Calculated Property |
| η | 0.0000566 | Pa×s | 739.85 | Calculated Property |
| η | 0.0000464 | Pa×s | 772.27 | Calculated Property |
| η | 0.0000387 | Pa×s | 804.70 | Calculated Property |
| η | 0.0000327 | Pa×s | 837.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(3-ethylphenyl) ester.
Sources
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