- InChI
- InChI=1S/C22H32O5/c1-2-3-4-5-6-10-17-26-21(24)11-8-7-9-12-22(25)27-20-15-13-19(18-23)14-16-20/h13-16,18H,2-12,17H2,1H3
- InChI Key
- RWNCPPSDPRBUEP-UHFFFAOYSA-N
- Formula
- C22H32O5
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)Oc1ccc
(C=O)cc1 - Molecular Weight1
- 376.49
- 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° | -330.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -847.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.54 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 5.259 | Crippen Calculated Property | |
| McVol | 313.530 | ml/mol | McGowan Calculated Property |
| Pc | 1232.88 | kPa | Joback Calculated Property |
| Inp | [3006.00; 3006.00] |
|
|
| Inp | 3006.00 | NIST | |
| Inp | 3006.00 | NIST | |
| Tboil | 935.66 | K | Joback Calculated Property |
| Tc | 1147.01 | K | Joback Calculated Property |
| Tfus | 562.96 | K | Joback Calculated Property |
| Vc | 1.224 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1012.63; 1082.45] | J/mol×K | [935.66; 1147.01] |
|
| Cp,gas | 1012.63 | J/mol×K | 935.66 | Joback Calculated Property |
| Cp,gas | 1027.37 | J/mol×K | 970.89 | Joback Calculated Property |
| Cp,gas | 1040.83 | J/mol×K | 1006.11 | Joback Calculated Property |
| Cp,gas | 1053.03 | J/mol×K | 1041.34 | Joback Calculated Property |
| Cp,gas | 1064.02 | J/mol×K | 1076.56 | Joback Calculated Property |
| Cp,gas | 1073.81 | J/mol×K | 1111.79 | Joback Calculated Property |
| Cp,gas | 1082.45 | J/mol×K | 1147.01 | Joback Calculated Property |
| η | [0.0000442; 0.0004541] | Pa×s | [562.96; 935.66] |
|
| η | 0.0004541 | Pa×s | 562.96 | Joback Calculated Property |
| η | 0.0002539 | Pa×s | 625.08 | Joback Calculated Property |
| η | 0.0001577 | Pa×s | 687.19 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 749.31 | Joback Calculated Property |
| η | 0.0000757 | Pa×s | 811.43 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 873.54 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 935.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-formylphenyl octyl ester.
Sources
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