- InChI
- InChI=1S/C16H30O4/c1-5-9-14(4)20-16(18)11-8-6-7-10-15(17)19-12-13(2)3/h13-14H,5-12H2,1-4H3
- InChI Key
- PUQXAGJKRCEXJO-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
- CCCC(C)OC(=O)CCCCCC(=O)OCC(C)C
- Molecular Weight1
- 286.41
- 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 | 0.8368 | Relay (1.0) Calculated Property | |
| ΔfG° | -388.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1025.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.868 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1428.30 | kPa | Joback Calculated Property |
| Inp | [1849.00; 1849.00] |
|
|
| Inp | 1849.00 | NIST | |
| Inp | 1849.00 | NIST | |
| Tboil | 561.51 | K | Relay (1.0) Calculated Property |
| Tc | 725.46 | K | Relay (1.0) Calculated Property |
| Tfus | 237.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.56; 823.57] | J/mol×K | [717.18; 897.32] |
|
| Cp,gas | 734.56 | J/mol×K | 717.18 | Joback Calculated Property |
| Cp,gas | 751.53 | J/mol×K | 747.20 | Joback Calculated Property |
| Cp,gas | 767.64 | J/mol×K | 777.23 | Joback Calculated Property |
| Cp,gas | 782.89 | J/mol×K | 807.25 | Joback Calculated Property |
| Cp,gas | 797.29 | J/mol×K | 837.27 | Joback Calculated Property |
| Cp,gas | 810.84 | J/mol×K | 867.29 | Joback Calculated Property |
| Cp,gas | 823.57 | J/mol×K | 897.32 | Joback Calculated Property |
| η | [0.0000791; 0.0018907] | Pa×s | [384.40; 717.18] |
|
| η | 0.0018907 | Pa×s | 384.40 | Joback Calculated Property |
| η | 0.0007981 | Pa×s | 439.86 | Joback Calculated Property |
| η | 0.0004087 | Pa×s | 495.33 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 550.79 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 606.25 | Joback Calculated Property |
| η | 0.0001076 | Pa×s | 661.72 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 717.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, isobutyl 2-pentyl ester.
Sources
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