- InChI
- InChI=1S/C25H38O5/c1-2-3-4-5-10-13-20-29-24(27)14-11-8-6-7-9-12-15-25(28)30-23-18-16-22(21-26)17-19-23/h16-19,21H,2-15,20H2,1H3
- InChI Key
- WGXXYWJCDLDGFT-UHFFFAOYSA-N
- Formula
- C25H38O5
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1
ccc(C=O)cc1 - Molecular Weight1
- 418.57
- 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 | 1.2259 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1019.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.429 | Crippen Calculated Property | |
| McVol | 355.800 | ml/mol | McGowan Calculated Property |
| Pc | 1016.83 | kPa | Joback Calculated Property |
| Inp | [3321.00; 3321.00] |
|
|
| Inp | 3321.00 | NIST | |
| Inp | 3321.00 | NIST | |
| Tboil | 689.19 | K | Relay (1.0) Calculated Property |
| Tc | 907.48 | K | Relay (1.0) Calculated Property |
| Tfus | 333.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1195.22; 1265.86] | J/mol×K | [1004.30; 1230.41] |
|
| Cp,gas | 1195.22 | J/mol×K | 1004.30 | Joback Calculated Property |
| Cp,gas | 1210.68 | J/mol×K | 1041.99 | Joback Calculated Property |
| Cp,gas | 1224.60 | J/mol×K | 1079.67 | Joback Calculated Property |
| Cp,gas | 1237.02 | J/mol×K | 1117.36 | Joback Calculated Property |
| Cp,gas | 1248.01 | J/mol×K | 1155.04 | Joback Calculated Property |
| Cp,gas | 1257.60 | J/mol×K | 1192.73 | Joback Calculated Property |
| Cp,gas | 1265.86 | J/mol×K | 1230.41 | Joback Calculated Property |
| η | [0.0000282; 0.0003203] | Pa×s | [596.77; 1004.30] |
|
| η | 0.0003203 | Pa×s | 596.77 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 664.69 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 732.61 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 800.53 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 868.46 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 936.38 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 1004.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-formylphenyl octyl ester.
Sources
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