- InChI
- InChI=1S/C24H25F5O4/c1-2-3-4-5-6-7-8-12-32-23(30)15-10-9-11-16(13-15)24(31)33-14-17-18(25)20(27)22(29)21(28)19(17)26/h9-11,13H,2-8,12,14H2,1H3
- InChI Key
- AZKZTGAXNUTUPS-UHFFFAOYSA-N
- Formula
- C24H25F5O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OCc
2c(F)c(F)c(F)c(F)c2F)c1 - Molecular Weight1
- 472.44
- 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° | -1123.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1604.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.77 | kJ/mol | Joback Calculated Property |
| log10WS | -9.07 | Crippen Calculated Property | |
| logPoct/wat | 6.647 | Crippen Calculated Property | |
| McVol | 325.230 | ml/mol | McGowan Calculated Property |
| Pc | 1052.09 | kPa | Joback Calculated Property |
| Inp | [2890.00; 2890.00] |
|
|
| Inp | 2890.00 | NIST | |
| Inp | 2890.00 | NIST | |
| Tboil | 980.69 | K | Joback Calculated Property |
| Tc | 1200.93 | K | Joback Calculated Property |
| Tfus | 635.47 | K | Joback Calculated Property |
| Vc | 1.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1045.74; 1101.02] | J/mol×K | [980.69; 1200.93] |
|
| Cp,gas | 1045.74 | J/mol×K | 980.69 | Joback Calculated Property |
| Cp,gas | 1058.46 | J/mol×K | 1017.40 | Joback Calculated Property |
| Cp,gas | 1069.74 | J/mol×K | 1054.10 | Joback Calculated Property |
| Cp,gas | 1079.62 | J/mol×K | 1090.81 | Joback Calculated Property |
| Cp,gas | 1088.11 | J/mol×K | 1127.52 | Joback Calculated Property |
| Cp,gas | 1095.23 | J/mol×K | 1164.22 | Joback Calculated Property |
| Cp,gas | 1101.02 | J/mol×K | 1200.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, nonyl pentafluorobenzyl ester.
Sources
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