- InChI
- InChI=1S/C28H46O5/c1-4-5-6-7-10-13-16-23-31-27(29)17-14-11-8-9-12-15-18-28(30)33-26-21-19-25(20-22-26)32-24(2)3/h19-22,24H,4-18,23H2,1-3H3
- InChI Key
- YRYPVEJXJZOVSO-UHFFFAOYSA-N
- Formula
- C28H46O5
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1ccc(OC(C)C)cc1 - Molecular Weight1
- 462.66
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -287.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1023.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.19 | kJ/mol | Joback Calculated Property |
| log10WS | -8.83 | Crippen Calculated Property | |
| logPoct/wat | 7.794 | Crippen Calculated Property | |
| McVol | 402.370 | ml/mol | McGowan Calculated Property |
| Pc | 813.07 | kPa | Joback Calculated Property |
| Inp | [3327.00; 3327.00] |
|
|
| Inp | 3327.00 | NIST | |
| Inp | 3327.00 | NIST | |
| Tboil | 1046.26 | K | Joback Calculated Property |
| Tc | 1287.87 | K | Joback Calculated Property |
| Tfus | 595.81 | K | Joback Calculated Property |
| Vc | 1.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1398.63; 1470.93] | J/mol×K | [1046.26; 1287.87] |
|
| Cp,gas | 1398.63 | J/mol×K | 1046.26 | Joback Calculated Property |
| Cp,gas | 1415.70 | J/mol×K | 1086.53 | Joback Calculated Property |
| Cp,gas | 1430.69 | J/mol×K | 1126.80 | Joback Calculated Property |
| Cp,gas | 1443.65 | J/mol×K | 1167.06 | Joback Calculated Property |
| Cp,gas | 1454.64 | J/mol×K | 1207.33 | Joback Calculated Property |
| Cp,gas | 1463.72 | J/mol×K | 1247.60 | Joback Calculated Property |
| Cp,gas | 1470.93 | J/mol×K | 1287.87 | Joback Calculated Property |
| η | [0.0000111; 0.0001768] | Pa×s | [595.81; 1046.26] |
|
| η | 0.0001768 | Pa×s | 595.81 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 670.88 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 745.96 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 821.03 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 896.11 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 971.18 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 1046.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-isopropoxyphenyl nonyl ester.
Sources
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