- InChI
- InChI=1S/C27H52O6/c1-5-7-10-14-24(18-20-30-3)22-32-26(28)16-12-9-13-17-27(29)33-23-25(19-21-31-4)15-11-8-6-2/h24-25H,5-23H2,1-4H3
- InChI Key
- ICEMGFSATXUTGS-UHFFFAOYSA-N
- Formula
- C27H52O6
- SMILES
-
CCCCCC(CCOC)COC(=O)CCCCCC(=O)O
CC(CCCCC)CCOC - Molecular Weight1
- 472.70
- 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° | -506.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1365.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.05 | kJ/mol | Joback Calculated Property |
| log10WS | -6.54 | Crippen Calculated Property | |
| logPoct/wat | 6.489 | Crippen Calculated Property | |
| McVol | 417.910 | ml/mol | McGowan Calculated Property |
| Pc | 716.45 | kPa | Joback Calculated Property |
| Inp | [3036.00; 3036.00] |
|
|
| Inp | 3036.00 | NIST | |
| Inp | 3036.00 | NIST | |
| Tboil | 1013.70 | K | Joback Calculated Property |
| Tc | 1259.37 | K | Joback Calculated Property |
| Tfus | 552.83 | K | Joback Calculated Property |
| Vc | 1.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1472.76; 1557.86] | J/mol×K | [1013.70; 1259.37] |
|
| Cp,gas | 1472.76 | J/mol×K | 1013.70 | Joback Calculated Property |
| Cp,gas | 1493.07 | J/mol×K | 1054.65 | Joback Calculated Property |
| Cp,gas | 1510.89 | J/mol×K | 1095.59 | Joback Calculated Property |
| Cp,gas | 1526.25 | J/mol×K | 1136.54 | Joback Calculated Property |
| Cp,gas | 1539.18 | J/mol×K | 1177.48 | Joback Calculated Property |
| Cp,gas | 1549.70 | J/mol×K | 1218.43 | Joback Calculated Property |
| Cp,gas | 1557.86 | J/mol×K | 1259.37 | Joback Calculated Property |
| η | [0.0000082; 0.0002036] | Pa×s | [552.83; 1013.70] |
|
| η | 0.0002036 | Pa×s | 552.83 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 629.64 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 706.45 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 783.26 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 860.08 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 936.89 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 1013.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(2-(2-methoxyethyl)heptyl) ester.
Sources
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