- InChI
- InChI=1S/C19H36O4/c1-3-5-7-8-13-17-23-19(21)15-11-9-10-14-18(20)22-16-12-6-4-2/h3-17H2,1-2H3
- InChI Key
- ZPHCTASFAVJOPH-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
- CCCCCCCOC(=O)CCCCCC(=O)OCCCCC
- Molecular Weight1
- 328.49
- 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 | 1.0155 | Relay (... Calculated Property | |
| ΔfG° | -358.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.44 | kJ/mol | Relay (... Calculated Property |
| IE | 9.44 | eV | Relay (... Calculated Property |
| log10WS | -4.90 | Relay (... Calculated Property | |
| logPoct/wat | 5.184 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1149.10 | kPa | Joback Calculated Property |
| Inp | [2268.00; 2268.00] |
|
|
| Inp | 2268.00 | NIST | |
| Inp | 2268.00 | NIST | |
| Tboil | 603.67 | K | Relay (... Calculated Property |
| Tc | 774.65 | K | Relay (... Calculated Property |
| Tfus | 273.39 | K | Relay (... Calculated Property |
| Vc | 1.146 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.90; 1001.52] | J/mol×K | [786.70; 967.58] |
|
| Cp,gas | 908.90 | J/mol×K | 786.70 | Joback Calculated Property |
| Cp,gas | 926.73 | J/mol×K | 816.85 | Joback Calculated Property |
| Cp,gas | 943.58 | J/mol×K | 846.99 | Joback Calculated Property |
| Cp,gas | 959.47 | J/mol×K | 877.14 | Joback Calculated Property |
| Cp,gas | 974.42 | J/mol×K | 907.29 | Joback Calculated Property |
| Cp,gas | 988.43 | J/mol×K | 937.43 | Joback Calculated Property |
| Cp,gas | 1001.52 | J/mol×K | 967.58 | Joback Calculated Property |
| η | [0.0000614; 0.0009350] | Pa×s | [448.21; 786.70] |
|
| η | 0.0009350 | Pa×s | 448.21 | Joback Calculated Property |
| η | 0.0004609 | Pa×s | 504.63 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 561.04 | Joback Calculated Property |
| η | 0.0001650 | Pa×s | 617.46 | Joback Calculated Property |
| η | 0.0001123 | Pa×s | 673.87 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 730.29 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 786.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, heptyl pentyl ester.
Sources
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