- InChI
- InChI=1S/C18H13F5O4/c1-2-6-26-17(24)9-4-3-5-10(7-9)18(25)27-8-11-12(19)14(21)16(23)15(22)13(11)20/h3-5,7H,2,6,8H2,1H3
- InChI Key
- PULGSEYGQJVUDH-UHFFFAOYSA-N
- Formula
- C18H13F5O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCc2c(F)c
(F)c(F)c(F)c2F)c1 - Molecular Weight1
- 388.29
- 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° | -1174.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1480.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 4.306 | Crippen Calculated Property | |
| McVol | 240.690 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | [2284.00; 2284.00] |
|
|
| Inp | 2284.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 843.41 | K | Joback Calculated Property |
| Tc | 1045.21 | K | Joback Calculated Property |
| Tfus | 567.85 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.14; 751.88] | J/mol×K | [843.41; 1045.21] |
|
| Cp,gas | 699.14 | J/mol×K | 843.41 | Joback Calculated Property |
| Cp,gas | 710.33 | J/mol×K | 877.04 | Joback Calculated Property |
| Cp,gas | 720.56 | J/mol×K | 910.68 | Joback Calculated Property |
| Cp,gas | 729.83 | J/mol×K | 944.31 | Joback Calculated Property |
| Cp,gas | 738.14 | J/mol×K | 977.95 | Joback Calculated Property |
| Cp,gas | 745.48 | J/mol×K | 1011.58 | Joback Calculated Property |
| Cp,gas | 751.88 | J/mol×K | 1045.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentafluorobenzyl propyl ester.
Sources
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