- InChI
- InChI=1S/C16H30O4/c1-4-6-12-19-15(17)10-8-7-9-11-16(18)20-13-14(3)5-2/h14H,4-13H2,1-3H3
- InChI Key
- XWWTYIGWCCLMTA-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
- CCCCOC(=O)CCCCCC(=O)OCC(C)CC
- Molecular Weight1
- 286.41
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -386.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | [1932.00; 1932.00] |
|
|
| Inp | 1932.00 | NIST | |
| Inp | 1932.00 | NIST | |
| Tboil | 717.62 | K | Joback Calculated Property |
| Tc | 895.76 | K | Joback Calculated Property |
| Tfus | 399.40 | K | Joback Calculated Property |
| Vc | 0.974 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.08; 822.23] | J/mol×K | [717.62; 895.76] |
|
| Cp,gas | 734.08 | J/mol×K | 717.62 | Joback Calculated Property |
| Cp,gas | 750.85 | J/mol×K | 747.31 | Joback Calculated Property |
| Cp,gas | 766.77 | J/mol×K | 777.00 | Joback Calculated Property |
| Cp,gas | 781.86 | J/mol×K | 806.69 | Joback Calculated Property |
| Cp,gas | 796.13 | J/mol×K | 836.38 | Joback Calculated Property |
| Cp,gas | 809.59 | J/mol×K | 866.07 | Joback Calculated Property |
| Cp,gas | 822.23 | J/mol×K | 895.76 | Joback Calculated Property |
| η | [0.0000856; 0.0015210] | Pa×s | [399.40; 717.62] |
|
| η | 0.0015210 | Pa×s | 399.40 | Joback Calculated Property |
| η | 0.0007109 | Pa×s | 452.44 | Joback Calculated Property |
| η | 0.0003898 | Pa×s | 505.47 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 558.51 | Joback Calculated Property |
| η | 0.0001602 | Pa×s | 611.55 | Joback Calculated Property |
| η | 0.0001142 | Pa×s | 664.58 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 717.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, butyl 2-methylbutyl ester.
Sources
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