- InChI
- InChI=1S/C18H24O5/c1-14(2)13-22-17(20)6-4-3-5-7-18(21)23-16-10-8-15(12-19)9-11-16/h8-12,14H,3-7,13H2,1-2H3
- InChI Key
- OGVZITLXRYJPSO-UHFFFAOYSA-N
- Formula
- C18H24O5
- SMILES
-
CC(C)COC(=O)CCCCCC(=O)Oc1ccc(C
=O)cc1 - Molecular Weight1
- 320.38
- 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° | -366.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.554 | Crippen Calculated Property | |
| McVol | 257.170 | ml/mol | McGowan Calculated Property |
| Pc | 1657.84 | kPa | Joback Calculated Property |
| Inp | [2499.00; 2499.00] |
|
|
| Inp | 2499.00 | NIST | |
| Inp | 2499.00 | NIST | |
| Tboil | 843.70 | K | Joback Calculated Property |
| Tc | 1050.11 | K | Joback Calculated Property |
| Tfus | 502.88 | K | Joback Calculated Property |
| Vc | 0.995 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.94; 845.73] | J/mol×K | [843.70; 1050.11] |
|
| Cp,gas | 777.94 | J/mol×K | 843.70 | Joback Calculated Property |
| Cp,gas | 791.92 | J/mol×K | 878.10 | Joback Calculated Property |
| Cp,gas | 804.81 | J/mol×K | 912.50 | Joback Calculated Property |
| Cp,gas | 816.61 | J/mol×K | 946.90 | Joback Calculated Property |
| Cp,gas | 827.36 | J/mol×K | 981.30 | Joback Calculated Property |
| Cp,gas | 837.06 | J/mol×K | 1015.70 | Joback Calculated Property |
| Cp,gas | 845.73 | J/mol×K | 1050.11 | Joback Calculated Property |
| η | [0.0000716; 0.0007683] | Pa×s | [502.88; 843.70] |
|
| η | 0.0007683 | Pa×s | 502.88 | Joback Calculated Property |
| η | 0.0004232 | Pa×s | 559.68 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 616.49 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 673.29 | Joback Calculated Property |
| η | 0.0001234 | Pa×s | 730.09 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 786.90 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 843.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-formylphenyl isobutyl ester.
Sources
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