- 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -895.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.49 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.554 | Crippen Calculated Property | |
| McVol | 257.170 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | [2499.00; 2499.00] |
|
|
| Inp | 2499.00 | NIST | |
| Inp | 2499.00 | NIST | |
| Tboil | 641.67 | K | Relay (1.0) Calculated Property |
| Tc | 858.04 | K | Relay (1.0) Calculated Property |
| Tfus | 328.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.36; 836.30] | J/mol×K | [807.76; 1009.49] |
|
| Cp,gas | 767.36 | J/mol×K | 807.76 | Joback Calculated Property |
| Cp,gas | 781.65 | J/mol×K | 841.38 | Joback Calculated Property |
| Cp,gas | 794.79 | J/mol×K | 875.00 | Joback Calculated Property |
| Cp,gas | 806.81 | J/mol×K | 908.63 | Joback Calculated Property |
| Cp,gas | 817.72 | J/mol×K | 942.25 | Joback Calculated Property |
| Cp,gas | 827.55 | J/mol×K | 975.87 | Joback Calculated Property |
| Cp,gas | 836.30 | J/mol×K | 1009.49 | Joback Calculated Property |
| η | [0.0000557; 0.0011782] | Pa×s | [443.22; 807.76] |
|
| η | 0.0011782 | Pa×s | 443.22 | Joback Calculated Property |
| η | 0.0005214 | Pa×s | 503.98 | Joback Calculated Property |
| η | 0.0002750 | Pa×s | 564.73 | Joback Calculated Property |
| η | 0.0001642 | Pa×s | 625.49 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 686.25 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 747.00 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 807.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-formylphenyl isobutyl ester.
Sources
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