- InChI
- InChI=1S/C23H44O5/c1-6-7-9-12-21(15-16-26-5)18-27-22(24)13-10-8-11-14-23(25)28-20(4)17-19(2)3/h19-21H,6-18H2,1-5H3
- InChI Key
- BEKBNVBFIPJUAC-UHFFFAOYSA-N
- Formula
- C23H44O5
- SMILES
-
CCCCCC(CCOC)COC(=O)CCCCCC(=O)O
C(C)CC(C)C - Molecular Weight1
- 400.59
- 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° | -437.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1155.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 5.691 | Crippen Calculated Property | |
| McVol | 355.680 | ml/mol | McGowan Calculated Property |
| Pc | 903.43 | kPa | Joback Calculated Property |
| Inp | [2510.00; 2510.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 899.32 | K | Joback Calculated Property |
| Tc | 1101.14 | K | Joback Calculated Property |
| Tfus | 470.52 | K | Joback Calculated Property |
| Vc | 1.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.95; 1281.56] | J/mol×K | [899.32; 1101.14] |
|
| Cp,gas | 1187.95 | J/mol×K | 899.32 | Joback Calculated Property |
| Cp,gas | 1207.15 | J/mol×K | 932.96 | Joback Calculated Property |
| Cp,gas | 1224.89 | J/mol×K | 966.59 | Joback Calculated Property |
| Cp,gas | 1241.18 | J/mol×K | 1000.23 | Joback Calculated Property |
| Cp,gas | 1256.04 | J/mol×K | 1033.86 | Joback Calculated Property |
| Cp,gas | 1269.50 | J/mol×K | 1067.50 | Joback Calculated Property |
| Cp,gas | 1281.56 | J/mol×K | 1101.14 | Joback Calculated Property |
| η | [0.0000193; 0.0006365] | Pa×s | [470.52; 899.32] |
|
| η | 0.0006365 | Pa×s | 470.52 | Joback Calculated Property |
| η | 0.0002422 | Pa×s | 541.99 | Joback Calculated Property |
| η | 0.0001154 | Pa×s | 613.45 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 684.92 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 756.39 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 827.85 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 899.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-(2-methoxyethyl)heptyl 4-methyl-2-pentyl ester.
Sources
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