- InChI
- InChI=1S/C17H22O5/c1-2-12-21-16(19)6-4-3-5-7-17(20)22-15-10-8-14(13-18)9-11-15/h8-11,13H,2-7,12H2,1H3
- InChI Key
- ZAFFGGRYMPLDKV-UHFFFAOYSA-N
- Formula
- C17H22O5
- SMILES
-
CCCOC(=O)CCCCCC(=O)Oc1ccc(C=O)
cc1 - Molecular Weight1
- 306.35
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9333 | Relay (... Calculated Property | |
| ΔfG° | -372.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.70 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -3.88 | Relay (... Calculated Property | |
| logPoct/wat | 3.308 | Crippen Calculated Property | |
| McVol | 243.080 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | [2454.00; 2454.00] |
|
|
| Inp | 2454.00 | NIST | |
| Inp | 2454.00 | NIST | |
| Tboil | 635.14 | K | Relay (... Calculated Property |
| Tc | 847.43 | K | Relay (... Calculated Property |
| Tfus | 325.29 | K | Relay (... Calculated Property |
| Vc | 0.899 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.47; 787.07] | J/mol×K | [821.26; 1025.77] |
|
| Cp,gas | 720.47 | J/mol×K | 821.26 | Joback Calculated Property |
| Cp,gas | 734.08 | J/mol×K | 855.35 | Joback Calculated Property |
| Cp,gas | 746.66 | J/mol×K | 889.43 | Joback Calculated Property |
| Cp,gas | 758.24 | J/mol×K | 923.52 | Joback Calculated Property |
| Cp,gas | 768.82 | J/mol×K | 957.60 | Joback Calculated Property |
| Cp,gas | 778.43 | J/mol×K | 991.69 | Joback Calculated Property |
| Cp,gas | 787.07 | J/mol×K | 1025.77 | Joback Calculated Property |
| η | [0.0000895; 0.0007564] | Pa×s | [506.61; 821.26] |
|
| η | 0.0007564 | Pa×s | 506.61 | Joback Calculated Property |
| η | 0.0004485 | Pa×s | 559.05 | Joback Calculated Property |
| η | 0.0002909 | Pa×s | 611.49 | Joback Calculated Property |
| η | 0.0002020 | Pa×s | 663.93 | Joback Calculated Property |
| η | 0.0001480 | Pa×s | 716.38 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 768.82 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 821.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-formylphenyl propyl ester.
Sources
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