- InChI
- InChI=1S/C21H32O5/c1-17(2)16-25-20(22)10-8-6-4-5-7-9-11-21(23)26-19-14-12-18(24-3)13-15-19/h12-15,17H,4-11,16H2,1-3H3
- InChI Key
- FNOCFXGLQBSRHC-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
COc1ccc(OC(=O)CCCCCCCCC(=O)OCC
(C)C)cc1 - Molecular Weight1
- 364.48
- 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° | -346.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -878.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.61 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 4.921 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1244.21 | kPa | Joback Calculated Property |
| Inp | [2780.00; 2780.00] |
|
|
| Inp | 2780.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Tboil | 886.10 | K | Joback Calculated Property |
| Tc | 1090.63 | K | Joback Calculated Property |
| Tfus | 516.92 | K | Joback Calculated Property |
| Vc | 1.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.23; 1043.30] | J/mol×K | [886.10; 1090.63] |
|
| Cp,gas | 967.23 | J/mol×K | 886.10 | Joback Calculated Property |
| Cp,gas | 983.12 | J/mol×K | 920.19 | Joback Calculated Property |
| Cp,gas | 997.70 | J/mol×K | 954.28 | Joback Calculated Property |
| Cp,gas | 1011.00 | J/mol×K | 988.37 | Joback Calculated Property |
| Cp,gas | 1023.03 | J/mol×K | 1022.46 | Joback Calculated Property |
| Cp,gas | 1033.79 | J/mol×K | 1056.54 | Joback Calculated Property |
| Cp,gas | 1043.30 | J/mol×K | 1090.63 | Joback Calculated Property |
| η | [0.0000325; 0.0004176] | Pa×s | [516.92; 886.10] |
|
| η | 0.0004176 | Pa×s | 516.92 | Joback Calculated Property |
| η | 0.0002177 | Pa×s | 578.45 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 639.98 | Joback Calculated Property |
| η | 0.0000833 | Pa×s | 701.51 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 763.04 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 824.57 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 886.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 4-methoxyphenyl ester.
Sources
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