- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.90; 833.94] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.74560e+01 | |||
| Coefficient B | 1.44624e+00 | |||
| Coefficient C | -7.26560e-04 | |||
| Coefficient D | 8.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 369.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 452.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 525.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 591.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 649.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 700.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 743.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 780.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 810.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 833.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011782; 0.0000947] | Pa×s | [443.22; 706.64] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35065e+01 | |||
| Coefficient B | 2.99737e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 443.22 | |||
| Temperature range, max. | 706.64 | |||
| η | 0.0011782 | Pa×s | 443.22 | Calculated Property |
| η | 0.0007750 | Pa×s | 472.49 | Calculated Property |
| η | 0.0005353 | Pa×s | 501.76 | Calculated Property |
| η | 0.0003851 | Pa×s | 531.03 | Calculated Property |
| η | 0.0002868 | Pa×s | 560.30 | Calculated Property |
| η | 0.0002199 | Pa×s | 589.57 | Calculated Property |
| η | 0.0001729 | Pa×s | 618.84 | Calculated Property |
| η | 0.0001389 | Pa×s | 648.11 | Calculated Property |
| η | 0.0001138 | Pa×s | 677.37 | Calculated Property |
| η | 0.0000947 | Pa×s | 706.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-formylphenyl isobutyl ester.
Sources
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