- InChI
- InChI=1S/C21H20O6/c22-14-16-6-10-18(11-7-16)26-20(24)4-2-1-3-5-21(25)27-19-12-8-17(15-23)9-13-19/h6-15H,1-5H2
- InChI Key
- DQAMRWBFIWELFN-UHFFFAOYSA-N
- Formula
- C21H20O6
- SMILES
-
O=Cc1ccc(OC(=O)CCCCCC(=O)Oc2cc
c(C=O)cc2)cc1 - Molecular Weight1
- 368.38
- 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° | -335.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 3.773 | Crippen Calculated Property | |
| McVol | 277.250 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | 2268.00 | NIST | |
| Tboil | 993.10 | K | Joback Calculated Property |
| Tc | 1225.39 | K | Joback Calculated Property |
| Tfus | 632.63 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.35; 894.48] | J/mol×K | [993.10; 1225.39] | 
|
| Cp,gas | 854.35 | J/mol×K | 993.10 | Joback Calculated Property |
| Cp,gas | 864.20 | J/mol×K | 1031.81 | Joback Calculated Property |
| Cp,gas | 872.74 | J/mol×K | 1070.53 | Joback Calculated Property |
| Cp,gas | 880.00 | J/mol×K | 1109.24 | Joback Calculated Property |
| Cp,gas | 886.02 | J/mol×K | 1147.96 | Joback Calculated Property |
| Cp,gas | 890.83 | J/mol×K | 1186.67 | Joback Calculated Property |
| Cp,gas | 894.48 | J/mol×K | 1225.39 | Joback Calculated Property |
| η | [0.0000579; 0.0004014] | Pa×s | [632.63; 993.10] |
|
| η | 0.0004014 | Pa×s | 632.63 | Joback Calculated Property |
| η | 0.0002527 | Pa×s | 692.71 | Joback Calculated Property |
| η | 0.0001713 | Pa×s | 752.79 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 812.87 | Joback Calculated Property |
| η | 0.0000924 | Pa×s | 872.94 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 933.02 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 993.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(4-formylphenyl) ester.
Sources
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