- InChI
- InChI=1S/C21H30O5/c1-2-3-16-25-20(23)10-8-6-4-5-7-9-11-21(24)26-19-14-12-18(17-22)13-15-19/h12-15,17H,2-11,16H2,1H3
- InChI Key
- QKOUCWXVAUQWLG-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(
C=O)cc1 - Molecular Weight1
- 362.46
- 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° | -338.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 4.869 | Crippen Calculated Property | |
| McVol | 299.440 | ml/mol | McGowan Calculated Property |
| Pc | 1320.39 | kPa | Joback Calculated Property |
| Inp | [2901.00; 2901.00] |
|
|
| Inp | 2901.00 | NIST | |
| Inp | 2901.00 | NIST | |
| Tboil | 912.78 | K | Joback Calculated Property |
| Tc | 1121.15 | K | Joback Calculated Property |
| Tfus | 551.69 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.82; 1022.23] | J/mol×K | [912.78; 1121.15] |
|
| Cp,gas | 952.82 | J/mol×K | 912.78 | Joback Calculated Property |
| Cp,gas | 967.35 | J/mol×K | 947.51 | Joback Calculated Property |
| Cp,gas | 980.65 | J/mol×K | 982.24 | Joback Calculated Property |
| Cp,gas | 992.76 | J/mol×K | 1016.97 | Joback Calculated Property |
| Cp,gas | 1003.71 | J/mol×K | 1051.70 | Joback Calculated Property |
| Cp,gas | 1013.53 | J/mol×K | 1086.42 | Joback Calculated Property |
| Cp,gas | 1022.23 | J/mol×K | 1121.15 | Joback Calculated Property |
| η | [0.0000511; 0.0005069] | Pa×s | [551.69; 912.78] |
|
| η | 0.0005069 | Pa×s | 551.69 | Joback Calculated Property |
| η | 0.0002865 | Pa×s | 611.87 | Joback Calculated Property |
| η | 0.0001794 | Pa×s | 672.05 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 732.23 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 792.42 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 852.60 | Joback Calculated Property |
| η | 0.0000511 | Pa×s | 912.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 4-formylphenyl ester.
Sources
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