- InChI
- InChI=1S/C17H11F5O4/c1-2-25-16(23)8-4-3-5-9(6-8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h3-6H,2,7H2,1H3
- InChI Key
- HINCOPCIUMJKMZ-UHFFFAOYSA-N
- Formula
- C17H11F5O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OCc2c(F)c(
F)c(F)c(F)c2F)c1 - Molecular Weight1
- 374.26
- 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° | -1182.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1460.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.19 | kJ/mol | Joback Calculated Property |
| log10WS | -6.14 | Crippen Calculated Property | |
| logPoct/wat | 3.916 | Crippen Calculated Property | |
| McVol | 226.600 | ml/mol | McGowan Calculated Property |
| Pc | 1720.31 | kPa | Joback Calculated Property |
| Inp | [2191.00; 2191.00] |
|
|
| Inp | 2191.00 | NIST | |
| Inp | 2191.00 | NIST | |
| Tboil | 820.53 | K | Joback Calculated Property |
| Tc | 1022.07 | K | Joback Calculated Property |
| Tfus | 556.58 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.99; 695.52] | J/mol×K | [820.53; 1022.07] |
|
| Cp,gas | 643.99 | J/mol×K | 820.53 | Joback Calculated Property |
| Cp,gas | 654.85 | J/mol×K | 854.12 | Joback Calculated Property |
| Cp,gas | 664.80 | J/mol×K | 887.71 | Joback Calculated Property |
| Cp,gas | 673.85 | J/mol×K | 921.30 | Joback Calculated Property |
| Cp,gas | 681.98 | J/mol×K | 954.89 | Joback Calculated Property |
| Cp,gas | 689.20 | J/mol×K | 988.48 | Joback Calculated Property |
| Cp,gas | 695.52 | J/mol×K | 1022.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl pentafluorobenzyl ester.
Sources
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