- InChI
- InChI=1S/C18H26O4/c1-2-21-17(19)13-7-4-8-14-18(20)22-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11H,2,4,7-9,12-15H2,1H3
- InChI Key
- UIONKALDTDWGHV-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
- CCOC(=O)CCCCCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 306.40
- 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 | 0.8837 | Relay (1.0) Calculated Property | |
| ΔfG° | -407.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.676 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1473.62 | kPa | Joback Calculated Property |
| Inp | [2384.00; 2384.00] |
|
|
| Inp | 2384.00 | NIST | |
| Inp | 2384.00 | NIST | |
| Tboil | 630.33 | K | Relay (1.0) Calculated Property |
| Tc | 815.69 | K | Relay (1.0) Calculated Property |
| Tfus | 271.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.965 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.48; 830.46] | J/mol×K | [754.56; 948.83] |
|
| Cp,gas | 749.48 | J/mol×K | 754.56 | Joback Calculated Property |
| Cp,gas | 765.67 | J/mol×K | 786.94 | Joback Calculated Property |
| Cp,gas | 780.74 | J/mol×K | 819.32 | Joback Calculated Property |
| Cp,gas | 794.74 | J/mol×K | 851.69 | Joback Calculated Property |
| Cp,gas | 807.68 | J/mol×K | 884.07 | Joback Calculated Property |
| Cp,gas | 819.57 | J/mol×K | 916.45 | Joback Calculated Property |
| Cp,gas | 830.46 | J/mol×K | 948.83 | Joback Calculated Property |
| η | [0.0000564; 0.0014500] | Pa×s | [403.70; 754.56] |
|
| η | 0.0014500 | Pa×s | 403.70 | Joback Calculated Property |
| η | 0.0005995 | Pa×s | 462.18 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 520.65 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 579.13 | Joback Calculated Property |
| η | 0.0001120 | Pa×s | 637.61 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 696.08 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 754.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, ethyl 3-phenylpropyl ester.
Sources
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