- InChI
- InChI=1S/C31H60O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-29-35-31(33)27-23-21-22-26-30(32)34-28-24-8-6-4-2/h3-29H2,1-2H3
- InChI Key
- KDQNBFHJYNDMHH-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
(=O)OCCCCCC - Molecular Weight1
- 496.81
- 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° | -257.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 81.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.91 | kJ/mol | Joback Calculated Property |
| log10WS | -10.52 | Crippen Calculated Property | |
| logPoct/wat | 9.865 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 594.30 | kPa | Joback Calculated Property |
| Inp | [2883.00; 2883.00] |
|
|
| Inp | 2883.00 | NIST | |
| Inp | 2883.00 | NIST | |
| Tboil | 1061.26 | K | Joback Calculated Property |
| Tc | 1344.42 | K | Joback Calculated Property |
| Tfus | 583.45 | K | Joback Calculated Property |
| Vc | 1.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1670.89; 1782.40] | J/mol×K | [1061.26; 1344.42] |
|
| Cp,gas | 1670.89 | J/mol×K | 1061.26 | Joback Calculated Property |
| Cp,gas | 1696.10 | J/mol×K | 1108.45 | Joback Calculated Property |
| Cp,gas | 1718.46 | J/mol×K | 1155.65 | Joback Calculated Property |
| Cp,gas | 1738.13 | J/mol×K | 1202.84 | Joback Calculated Property |
| Cp,gas | 1755.25 | J/mol×K | 1250.03 | Joback Calculated Property |
| Cp,gas | 1769.95 | J/mol×K | 1297.22 | Joback Calculated Property |
| Cp,gas | 1782.40 | J/mol×K | 1344.42 | Joback Calculated Property |
| η | [0.0000097; 0.0002077] | Pa×s | [583.45; 1061.26] |
|
| η | 0.0002077 | Pa×s | 583.45 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 663.08 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 742.72 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 822.36 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 901.99 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 981.62 | Joback Calculated Property |
| η | 0.0000097 | Pa×s | 1061.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl octadecyl ester.
Sources
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