- InChI
- InChI=1S/C30H45F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-38-24(36)19-16-15-17-20-25(37)39-22-23-26(31)28(33)30(35)29(34)27(23)32/h2-22H2,1H3
- InChI Key
- FOOUMUWHJFJUSL-UHFFFAOYSA-N
- Formula
- C30H45F5O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(=
O)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 564.67
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -1175.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1953.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 86.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.19 | kJ/mol | Joback Calculated Property |
| log10WS | -11.36 | Crippen Calculated Property | |
| logPoct/wat | 9.400 | Crippen Calculated Property | |
| McVol | 433.530 | ml/mol | McGowan Calculated Property |
| Pc | 632.89 | kPa | Joback Calculated Property |
| Inp | [2375.00; 2375.00] |
|
|
| Inp | 2375.00 | NIST | |
| Inp | 2375.00 | NIST | |
| Tboil | 1086.31 | K | Joback Calculated Property |
| Tc | 1384.50 | K | Joback Calculated Property |
| Tfus | 664.15 | K | Joback Calculated Property |
| Vc | 1.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1525.47; 1599.06] | J/mol×K | [1086.31; 1384.50] |
|
| Cp,gas | 1525.47 | J/mol×K | 1086.31 | Joback Calculated Property |
| Cp,gas | 1545.10 | J/mol×K | 1136.01 | Joback Calculated Property |
| Cp,gas | 1561.64 | J/mol×K | 1185.71 | Joback Calculated Property |
| Cp,gas | 1575.19 | J/mol×K | 1235.41 | Joback Calculated Property |
| Cp,gas | 1585.88 | J/mol×K | 1285.10 | Joback Calculated Property |
| Cp,gas | 1593.80 | J/mol×K | 1334.80 | Joback Calculated Property |
| Cp,gas | 1599.06 | J/mol×K | 1384.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexadecyl pentafluorobenzyl ester.
Sources
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