- InChI
- InChI=1S/C18H26O4/c1-2-14-21-17(19)11-7-4-8-12-18(20)22-15-13-16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3
- InChI Key
- BWUTVUDSRDGDQJ-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
- CCCOC(=O)CCCCCC(=O)OCCc1ccccc1
- Molecular Weight1
- 306.40
- 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° | -254.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.676 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [2322.00; 2322.00] |
|
|
| Inp | 2322.00 | NIST | |
| Inp | 2322.00 | NIST | |
| Tboil | 790.50 | K | Joback Calculated Property |
| Tc | 989.35 | K | Joback Calculated Property |
| Tfus | 463.36 | K | Joback Calculated Property |
| Vc | 0.984 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.94; 841.23] | J/mol×K | [790.50; 989.35] |
|
| Cp,gas | 761.94 | J/mol×K | 790.50 | Joback Calculated Property |
| Cp,gas | 777.71 | J/mol×K | 823.64 | Joback Calculated Property |
| Cp,gas | 792.42 | J/mol×K | 856.78 | Joback Calculated Property |
| Cp,gas | 806.11 | J/mol×K | 889.92 | Joback Calculated Property |
| Cp,gas | 818.79 | J/mol×K | 923.07 | Joback Calculated Property |
| Cp,gas | 830.49 | J/mol×K | 956.21 | Joback Calculated Property |
| Cp,gas | 841.23 | J/mol×K | 989.35 | Joback Calculated Property |
| η | [0.0000715; 0.0008523] | Pa×s | [463.36; 790.50] |
|
| η | 0.0008523 | Pa×s | 463.36 | Joback Calculated Property |
| η | 0.0004537 | Pa×s | 517.88 | Joback Calculated Property |
| η | 0.0002723 | Pa×s | 572.41 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 626.93 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 681.45 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 735.98 | Joback Calculated Property |
| η | 0.0000715 | Pa×s | 790.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, phenethyl propyl ester.
Sources
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