- InChI
- InChI=1S/C25H40O4/c1-22(2)14-12-20-28-24(26)18-10-5-3-4-6-11-19-25(27)29-21-13-17-23-15-8-7-9-16-23/h7-9,15-16,22H,3-6,10-14,17-21H2,1-2H3
- InChI Key
- JPUQHBNBJJJZGU-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)OCC
Cc1ccccc1 - Molecular Weight1
- 404.58
- 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 | 1.1142 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.263 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 984.55 | kPa | Joback Calculated Property |
| Inp | [3045.00; 3045.00] |
|
|
| Inp | 3045.00 | NIST | |
| Inp | 3045.00 | NIST | |
| Tboil | 679.22 | K | Relay (1.0) Calculated Property |
| Tc | 864.79 | K | Relay (1.0) Calculated Property |
| Tfus | 296.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.329 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1182.25; 1265.85] | J/mol×K | [950.22; 1163.44] |
|
| Cp,gas | 1182.25 | J/mol×K | 950.22 | Joback Calculated Property |
| Cp,gas | 1199.60 | J/mol×K | 985.76 | Joback Calculated Property |
| Cp,gas | 1215.52 | J/mol×K | 1021.29 | Joback Calculated Property |
| Cp,gas | 1230.06 | J/mol×K | 1056.83 | Joback Calculated Property |
| Cp,gas | 1243.26 | J/mol×K | 1092.36 | Joback Calculated Property |
| Cp,gas | 1255.17 | J/mol×K | 1127.90 | Joback Calculated Property |
| Cp,gas | 1265.85 | J/mol×K | 1163.44 | Joback Calculated Property |
| η | [0.0000237; 0.0004436] | Pa×s | [527.25; 950.22] |
|
| η | 0.0004436 | Pa×s | 527.25 | Joback Calculated Property |
| η | 0.0002040 | Pa×s | 597.75 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 668.24 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 738.73 | Joback Calculated Property |
| η | 0.0000447 | Pa×s | 809.23 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 879.72 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 950.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 3-phenylpropyl ester.
Sources
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