- InChI
- InChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-32-28(30)24-21-19-20-23-27(29)31-25-4-2/h3-26H2,1-2H3
- InChI Key
- LRZLZCPLNYNVHY-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
(=O)OCCC - Molecular Weight1
- 454.73
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3287 | Relay (1.0) Calculated Property | |
| ΔfG° | -282.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1227.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.695 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 687.45 | kPa | Joback Calculated Property |
| Inp | [3168.00; 3168.00] |
|
|
| Inp | 3168.00 | NIST | |
| Inp | 3168.00 | NIST | |
| Tboil | 664.37 | K | Relay (1.0) Calculated Property |
| Tc | 835.44 | K | Relay (1.0) Calculated Property |
| Tfus | 314.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.645 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1474.57; 1581.91] | J/mol×K | [992.62; 1233.15] |
|
| Cp,gas | 1474.57 | J/mol×K | 992.62 | Joback Calculated Property |
| Cp,gas | 1497.33 | J/mol×K | 1032.71 | Joback Calculated Property |
| Cp,gas | 1518.05 | J/mol×K | 1072.80 | Joback Calculated Property |
| Cp,gas | 1536.79 | J/mol×K | 1112.88 | Joback Calculated Property |
| Cp,gas | 1553.63 | J/mol×K | 1152.97 | Joback Calculated Property |
| Cp,gas | 1568.65 | J/mol×K | 1193.06 | Joback Calculated Property |
| Cp,gas | 1581.91 | J/mol×K | 1233.15 | Joback Calculated Property |
| η | [0.0000158; 0.0003138] | Pa×s | [549.64; 992.62] |
|
| η | 0.0003138 | Pa×s | 549.64 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 623.47 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 697.30 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 771.13 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 844.96 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 918.79 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 992.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, octadecyl propyl ester.
Sources
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