- InChI
- InChI=1S/C25H48O4/c1-5-7-8-9-10-11-12-13-14-18-21-28-24(26)19-16-15-17-20-25(27)29-23(4)22(3)6-2/h22-23H,5-21H2,1-4H3
- InChI Key
- FRSYABLGHJAURB-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCC(=O)OC
(C)C(C)CC - Molecular Weight1
- 412.65
- 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 | 1.1440 | Relay (... Calculated Property | |
| ΔfG° | -313.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1198.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 59.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.14 | kJ/mol | Relay (... Calculated Property |
| IE | 9.45 | eV | Relay (... Calculated Property |
| log10WS | -6.38 | Relay (... Calculated Property | |
| logPoct/wat | 7.379 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 811.68 | kPa | Joback Calculated Property |
| Inp | [2756.00; 2756.00] |
|
|
| Inp | 2756.00 | NIST | |
| Inp | 2756.00 | NIST | |
| Tboil | 636.14 | K | Relay (... Calculated Property |
| Tc | 816.61 | K | Relay (... Calculated Property |
| Tfus | 270.19 | K | Relay (... Calculated Property |
| Vc | 1.434 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.95; 1382.92] | J/mol×K | [923.10; 1132.09] |
|
| Cp,gas | 1281.95 | J/mol×K | 923.10 | Joback Calculated Property |
| Cp,gas | 1302.47 | J/mol×K | 957.93 | Joback Calculated Property |
| Cp,gas | 1321.46 | J/mol×K | 992.76 | Joback Calculated Property |
| Cp,gas | 1338.96 | J/mol×K | 1027.60 | Joback Calculated Property |
| Cp,gas | 1355.01 | J/mol×K | 1062.43 | Joback Calculated Property |
| Cp,gas | 1369.65 | J/mol×K | 1097.26 | Joback Calculated Property |
| Cp,gas | 1382.92 | J/mol×K | 1132.09 | Joback Calculated Property |
| η | [0.0000210; 0.0006234] | Pa×s | [485.83; 923.10] |
|
| η | 0.0006234 | Pa×s | 485.83 | Joback Calculated Property |
| η | 0.0002451 | Pa×s | 558.71 | Joback Calculated Property |
| η | 0.0001196 | Pa×s | 631.59 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 704.47 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 777.34 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 850.22 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 923.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, dodecyl 3-methyl-2-pentyl ester.
Sources
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