- InChI
- InChI=1S/C21H40O4/c1-17(2)10-9-11-19(5)14-15-24-20(22)12-7-6-8-13-21(23)25-16-18(3)4/h17-19H,6-16H2,1-5H3
- InChI Key
- VWLXWZBRUIAIKG-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CC(C)CCCC(C)CCOC(=O)CCCCCC(=O)
OCC(C)C - Molecular Weight1
- 356.54
- 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° | -349.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 5.532 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1028.60 | kPa | Joback Calculated Property |
| Inp | [2324.00; 2324.00] |
|
|
| Inp | 2324.00 | NIST | |
| Inp | 2324.00 | NIST | |
| Tboil | 831.14 | K | Joback Calculated Property |
| Tc | 1020.11 | K | Joback Calculated Property |
| Tfus | 425.75 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.67; 1127.72] | J/mol×K | [831.14; 1020.11] |
|
| Cp,gas | 1031.67 | J/mol×K | 831.14 | Joback Calculated Property |
| Cp,gas | 1050.51 | J/mol×K | 862.64 | Joback Calculated Property |
| Cp,gas | 1068.19 | J/mol×K | 894.13 | Joback Calculated Property |
| Cp,gas | 1084.74 | J/mol×K | 925.63 | Joback Calculated Property |
| Cp,gas | 1100.16 | J/mol×K | 957.12 | Joback Calculated Property |
| Cp,gas | 1114.48 | J/mol×K | 988.62 | Joback Calculated Property |
| Cp,gas | 1127.72 | J/mol×K | 1020.11 | Joback Calculated Property |
| η | [0.0000355; 0.0012935] | Pa×s | [425.75; 831.14] |
|
| η | 0.0012935 | Pa×s | 425.75 | Joback Calculated Property |
| η | 0.0004714 | Pa×s | 493.32 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 560.88 | Joback Calculated Property |
| η | 0.0001201 | Pa×s | 628.44 | Joback Calculated Property |
| η | 0.0000739 | Pa×s | 696.01 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 763.58 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 831.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl isobutyl ester.
Sources
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