- InChI
- InChI=1S/C18H24O5/c1-2-3-13-22-17(20)7-5-4-6-8-18(21)23-16-11-9-15(14-19)10-12-16/h9-12,14H,2-8,13H2,1H3
- InChI Key
- RMYLDWAXAOWYQA-UHFFFAOYSA-N
- Formula
- C18H24O5
- SMILES
-
CCCCOC(=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° | -363.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.66 | Crippen Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 257.170 | ml/mol | McGowan Calculated Property |
| Pc | 1647.09 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 844.14 | K | Joback Calculated Property |
| Tc | 1048.52 | K | Joback Calculated Property |
| Tfus | 517.88 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.40; 844.92] | J/mol×K | [844.14; 1048.52] |
|
| Cp,gas | 777.40 | J/mol×K | 844.14 | Joback Calculated Property |
| Cp,gas | 791.25 | J/mol×K | 878.20 | Joback Calculated Property |
| Cp,gas | 804.05 | J/mol×K | 912.27 | Joback Calculated Property |
| Cp,gas | 815.79 | J/mol×K | 946.33 | Joback Calculated Property |
| Cp,gas | 826.51 | J/mol×K | 980.39 | Joback Calculated Property |
| Cp,gas | 836.21 | J/mol×K | 1014.46 | Joback Calculated Property |
| Cp,gas | 844.92 | J/mol×K | 1048.52 | Joback Calculated Property |
| η | [0.0000781; 0.0006888] | Pa×s | [517.88; 844.14] |
|
| η | 0.0006888 | Pa×s | 517.88 | Joback Calculated Property |
| η | 0.0004034 | Pa×s | 572.26 | Joback Calculated Property |
| η | 0.0002592 | Pa×s | 626.63 | Joback Calculated Property |
| η | 0.0001787 | Pa×s | 681.01 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 735.39 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 789.76 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 844.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, butyl 4-formylphenyl ester.
Sources
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