- InChI
- InChI=1S/C22H34O4/c1-2-3-4-11-18-25-21(23)16-9-6-10-17-22(24)26-19-12-15-20-13-7-5-8-14-20/h5,7-8,13-14H,2-4,6,9-12,15-19H2,1H3
- InChI Key
- FFLINFZTVXTQRR-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCOC(=O)CCCCCC(=O)OCCCc1cc
ccc1 - Molecular Weight1
- 362.50
- 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 | 1.0406 | Relay (1.0) Calculated Property | |
| ΔfG° | -221.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -865.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1183.34 | kPa | Joback Calculated Property |
| Inp | [2783.00; 2783.00] |
|
|
| Inp | 2783.00 | NIST | |
| Inp | 2783.00 | NIST | |
| Tboil | 659.09 | K | Relay (1.0) Calculated Property |
| Tc | 842.94 | K | Relay (1.0) Calculated Property |
| Tfus | 284.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.179 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.85; 1080.10] | J/mol×K | [882.02; 1084.27] |
|
| Cp,gas | 997.85 | J/mol×K | 882.02 | Joback Calculated Property |
| Cp,gas | 1014.49 | J/mol×K | 915.73 | Joback Calculated Property |
| Cp,gas | 1029.92 | J/mol×K | 949.44 | Joback Calculated Property |
| Cp,gas | 1044.16 | J/mol×K | 983.15 | Joback Calculated Property |
| Cp,gas | 1057.25 | J/mol×K | 1016.86 | Joback Calculated Property |
| Cp,gas | 1069.21 | J/mol×K | 1050.57 | Joback Calculated Property |
| Cp,gas | 1080.10 | J/mol×K | 1084.27 | Joback Calculated Property |
| η | [0.0000406; 0.0005610] | Pa×s | [508.44; 882.02] |
|
| η | 0.0005610 | Pa×s | 508.44 | Joback Calculated Property |
| η | 0.0002853 | Pa×s | 570.70 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 632.97 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 695.23 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 757.49 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 819.76 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 882.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl 3-phenylpropyl ester.
Sources
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