- InChI
- InChI=1S/C29H56O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25-32-28(30)23-19-18-20-24-29(31)33-26-27(3)22-5-2/h27H,4-26H2,1-3H3
- InChI Key
- ZNRLKBMFGNHIBT-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(=
O)OCC(C)CCC - Molecular Weight1
- 468.75
- 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° | -276.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1136.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.07 | kJ/mol | Joback Calculated Property |
| log10WS | -9.45 | Crippen Calculated Property | |
| logPoct/wat | 8.941 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 656.79 | kPa | Joback Calculated Property |
| Inp | [3207.00; 3207.00] |
|
|
| Inp | 3207.00 | NIST | |
| Inp | 3207.00 | NIST | |
| Tboil | 1015.06 | K | Joback Calculated Property |
| Tc | 1265.21 | K | Joback Calculated Property |
| Tfus | 545.91 | K | Joback Calculated Property |
| Vc | 1.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1539.99; 1647.29] | J/mol×K | [1015.06; 1265.21] |
|
| Cp,gas | 1539.99 | J/mol×K | 1015.06 | Joback Calculated Property |
| Cp,gas | 1563.19 | J/mol×K | 1056.75 | Joback Calculated Property |
| Cp,gas | 1584.14 | J/mol×K | 1098.44 | Joback Calculated Property |
| Cp,gas | 1602.93 | J/mol×K | 1140.13 | Joback Calculated Property |
| Cp,gas | 1619.67 | J/mol×K | 1181.83 | Joback Calculated Property |
| Cp,gas | 1634.42 | J/mol×K | 1223.52 | Joback Calculated Property |
| Cp,gas | 1647.29 | J/mol×K | 1265.21 | Joback Calculated Property |
| η | [0.0000122; 0.0003091] | Pa×s | [545.91; 1015.06] |
|
| η | 0.0003091 | Pa×s | 545.91 | Joback Calculated Property |
| η | 0.0001288 | Pa×s | 624.10 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 702.29 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 780.49 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 858.68 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 936.87 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 1015.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexadecyl 2-methylpentyl ester.
Sources
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