- InChI
- InChI=1S/C21H40O5/c1-5-6-8-11-19(14-15-24-4)17-26-21(23)13-10-7-9-12-20(22)25-16-18(2)3/h18-19H,5-17H2,1-4H3
- InChI Key
- XEVPPLWTVZHLMY-UHFFFAOYSA-N
- Formula
- C21H40O5
- SMILES
-
CCCCCC(CCOC)COC(=O)CCCCCC(=O)O
CC(C)C - Molecular Weight1
- 372.54
- 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° | -451.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1109.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 4.912 | Crippen Calculated Property | |
| McVol | 327.500 | ml/mol | McGowan Calculated Property |
| Pc | 1012.30 | kPa | Joback Calculated Property |
| Inp | [2413.00; 2413.00] |
|
|
| Inp | 2413.00 | NIST | |
| Inp | 2413.00 | NIST | |
| Tboil | 854.00 | K | Joback Calculated Property |
| Tc | 1046.11 | K | Joback Calculated Property |
| Tfus | 462.98 | K | Joback Calculated Property |
| Vc | 1.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1063.08; 1155.54] | J/mol×K | [854.00; 1046.11] |
|
| Cp,gas | 1063.08 | J/mol×K | 854.00 | Joback Calculated Property |
| Cp,gas | 1081.57 | J/mol×K | 886.02 | Joback Calculated Property |
| Cp,gas | 1098.82 | J/mol×K | 918.04 | Joback Calculated Property |
| Cp,gas | 1114.82 | J/mol×K | 950.06 | Joback Calculated Property |
| Cp,gas | 1129.61 | J/mol×K | 982.07 | Joback Calculated Property |
| Cp,gas | 1143.18 | J/mol×K | 1014.09 | Joback Calculated Property |
| Cp,gas | 1155.54 | J/mol×K | 1046.11 | Joback Calculated Property |
| η | [0.0000288; 0.0006967] | Pa×s | [462.98; 854.00] |
|
| η | 0.0006967 | Pa×s | 462.98 | Joback Calculated Property |
| η | 0.0002952 | Pa×s | 528.15 | Joback Calculated Property |
| η | 0.0001510 | Pa×s | 593.32 | Joback Calculated Property |
| η | 0.0000882 | Pa×s | 658.49 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 723.66 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 788.83 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 854.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, isobutyl 2-(2-methoxyethyl)heptyl ester.
Sources
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