- InChI
- InChI=1S/C25H32O4/c26-24(28-20-10-16-22-12-4-1-5-13-22)18-8-3-9-19-25(27)29-21-11-17-23-14-6-2-7-15-23/h1-2,4-7,12-15H,3,8-11,16-21H2
- InChI Key
- LRPSWUFYPYNCOV-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
O=C(CCCCCC(=O)OCCCc1ccccc1)OCC
Cc1ccccc1 - Molecular Weight1
- 396.52
- 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 | 1.0597 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.289 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1219.14 | kPa | Joback Calculated Property |
| Inp | [2262.00; 2262.00] |
|
|
| Inp | 2262.00 | NIST | |
| Inp | 2262.00 | NIST | |
| Tboil | 707.61 | K | Relay (1.0) Calculated Property |
| Tc | 926.00 | K | Relay (1.0) Calculated Property |
| Tfus | 324.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.231 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1078.01; 1146.35] | J/mol×K | [977.34; 1200.89] |
|
| Cp,gas | 1078.01 | J/mol×K | 977.34 | Joback Calculated Property |
| Cp,gas | 1092.66 | J/mol×K | 1014.60 | Joback Calculated Property |
| Cp,gas | 1105.92 | J/mol×K | 1051.86 | Joback Calculated Property |
| Cp,gas | 1117.86 | J/mol×K | 1089.11 | Joback Calculated Property |
| Cp,gas | 1128.53 | J/mol×K | 1126.37 | Joback Calculated Property |
| Cp,gas | 1138.01 | J/mol×K | 1163.63 | Joback Calculated Property |
| Cp,gas | 1146.35 | J/mol×K | 1200.89 | Joback Calculated Property |
| η | [0.0000268; 0.0003429] | Pa×s | [568.67; 977.34] |
|
| η | 0.0003429 | Pa×s | 568.67 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 636.78 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 704.89 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 773.00 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 841.12 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 909.23 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 977.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(3-phenylpropyl) ester.
Sources
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