- InChI
- InChI=1S/C23H44O5/c1-4-6-8-12-18-27-22(24)14-10-9-11-15-23(25)28-20-17-21(13-7-5-2)16-19-26-3/h21H,4-20H2,1-3H3
- InChI Key
- WCNMJWITELDUTD-UHFFFAOYSA-N
- Formula
- C23H44O5
- SMILES
-
CCCCCCOC(=O)CCCCCC(=O)OCCC(CCC
C)CCOC - 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° | -432.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1145.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.13 | kJ/mol | Joback Calculated Property |
| log10WS | -6.02 | Crippen Calculated Property | |
| logPoct/wat | 5.837 | Crippen Calculated Property | |
| McVol | 355.680 | ml/mol | McGowan Calculated Property |
| Pc | 894.80 | kPa | Joback Calculated Property |
| Inp | [2657.00; 2657.00] |
|
|
| Inp | 2657.00 | NIST | |
| Inp | 2657.00 | NIST | |
| Tboil | 900.20 | K | Joback Calculated Property |
| Tc | 1102.87 | K | Joback Calculated Property |
| Tfus | 500.52 | K | Joback Calculated Property |
| Vc | 1.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.09; 1281.58] | J/mol×K | [900.20; 1102.87] |
|
| Cp,gas | 1187.09 | J/mol×K | 900.20 | Joback Calculated Property |
| Cp,gas | 1206.41 | J/mol×K | 933.98 | Joback Calculated Property |
| Cp,gas | 1224.28 | J/mol×K | 967.76 | Joback Calculated Property |
| Cp,gas | 1240.71 | J/mol×K | 1001.53 | Joback Calculated Property |
| Cp,gas | 1255.73 | J/mol×K | 1035.31 | Joback Calculated Property |
| Cp,gas | 1269.34 | J/mol×K | 1069.09 | Joback Calculated Property |
| Cp,gas | 1281.58 | J/mol×K | 1102.87 | Joback Calculated Property |
| η | [0.0000231; 0.0004611] | Pa×s | [500.52; 900.20] |
|
| η | 0.0004611 | Pa×s | 500.52 | Joback Calculated Property |
| η | 0.0002090 | Pa×s | 567.13 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 633.75 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 700.36 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 766.97 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 833.59 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 900.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl 3-(2-methoxyethyl)heptyl ester.
Sources
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