- InChI
- InChI=1S/C26H50O4/c1-4-6-7-8-9-10-11-12-13-14-18-22-29-25(27)20-16-15-17-21-26(28)30-23-24(3)19-5-2/h24H,4-23H2,1-3H3
- InChI Key
- YIZSHIKVOOYABP-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
CC(C)CCC - Molecular Weight1
- 426.67
- 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° | -302.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1074.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.39 | kJ/mol | Joback Calculated Property |
| log10WS | -8.19 | Crippen Calculated Property | |
| logPoct/wat | 7.771 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 765.64 | kPa | Joback Calculated Property |
| Inp | [2903.00; 2903.00] |
|
|
| Inp | 2903.00 | NIST | |
| Inp | 2903.00 | NIST | |
| Tboil | 946.42 | K | Joback Calculated Property |
| Tc | 1164.49 | K | Joback Calculated Property |
| Tfus | 512.10 | K | Joback Calculated Property |
| Vc | 1.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1345.59; 1448.73] | J/mol×K | [946.42; 1164.49] |
|
| Cp,gas | 1345.59 | J/mol×K | 946.42 | Joback Calculated Property |
| Cp,gas | 1366.80 | J/mol×K | 982.76 | Joback Calculated Property |
| Cp,gas | 1386.34 | J/mol×K | 1019.11 | Joback Calculated Property |
| Cp,gas | 1404.25 | J/mol×K | 1055.45 | Joback Calculated Property |
| Cp,gas | 1420.58 | J/mol×K | 1091.80 | Joback Calculated Property |
| Cp,gas | 1435.40 | J/mol×K | 1128.14 | Joback Calculated Property |
| Cp,gas | 1448.73 | J/mol×K | 1164.49 | Joback Calculated Property |
| η | [0.0000197; 0.0004671] | Pa×s | [512.10; 946.42] |
|
| η | 0.0004671 | Pa×s | 512.10 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 584.49 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 656.87 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 729.26 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 801.65 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 874.03 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 946.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-methylpentyl tridecyl ester.
Sources
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