- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.51; 1188.28] | J/mol×K | [974.24; 1195.88] |
|
| Cp,gas | 1123.51 | J/mol×K | 974.24 | Joback Calculated Property |
| Cp,gas | 1138.00 | J/mol×K | 1011.18 | Joback Calculated Property |
| Cp,gas | 1150.93 | J/mol×K | 1048.12 | Joback Calculated Property |
| Cp,gas | 1162.37 | J/mol×K | 1085.06 | Joback Calculated Property |
| Cp,gas | 1172.37 | J/mol×K | 1122.00 | Joback Calculated Property |
| Cp,gas | 1180.99 | J/mol×K | 1158.94 | Joback Calculated Property |
| Cp,gas | 1188.28 | J/mol×K | 1195.88 | Joback Calculated Property |
| η | [0.0000181; 0.0003066] | Pa×s | [545.32; 974.24] |
|
| η | 0.0003066 | Pa×s | 545.32 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 616.81 | Joback Calculated Property |
| η | 0.0000808 | Pa×s | 688.29 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 759.78 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 831.27 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 902.75 | Joback Calculated Property |
| η | 0.0000181 | Pa×s | 974.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(3-ethylphenyl) ester.
Sources
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