- InChI
- InChI=1S/C25H27F5O4/c1-2-3-4-5-6-7-8-9-13-33-24(31)16-11-10-12-17(14-16)25(32)34-15-18-19(26)21(28)23(30)22(29)20(18)27/h10-12,14H,2-9,13,15H2,1H3
- InChI Key
- ALSZQMIIKHLDFY-UHFFFAOYSA-N
- Formula
- C25H27F5O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)OC
c2c(F)c(F)c(F)c(F)c2F)c1 - Molecular Weight1
- 486.47
- 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° | -1115.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1625.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.99 | kJ/mol | Joback Calculated Property |
| log10WS | -9.49 | Crippen Calculated Property | |
| logPoct/wat | 7.037 | Crippen Calculated Property | |
| McVol | 339.320 | ml/mol | McGowan Calculated Property |
| Pc | 989.51 | kPa | Joback Calculated Property |
| Inp | [3004.00; 3004.00] |
|
|
| Inp | 3004.00 | NIST | |
| Inp | 3004.00 | NIST | |
| Tboil | 1003.57 | K | Joback Calculated Property |
| Tc | 1230.28 | K | Joback Calculated Property |
| Tfus | 646.74 | K | Joback Calculated Property |
| Vc | 1.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1105.50; 1160.48] | J/mol×K | [1003.57; 1230.28] |
|
| Cp,gas | 1105.50 | J/mol×K | 1003.57 | Joback Calculated Property |
| Cp,gas | 1118.45 | J/mol×K | 1041.36 | Joback Calculated Property |
| Cp,gas | 1129.85 | J/mol×K | 1079.14 | Joback Calculated Property |
| Cp,gas | 1139.72 | J/mol×K | 1116.93 | Joback Calculated Property |
| Cp,gas | 1148.09 | J/mol×K | 1154.71 | Joback Calculated Property |
| Cp,gas | 1155.01 | J/mol×K | 1192.50 | Joback Calculated Property |
| Cp,gas | 1160.48 | J/mol×K | 1230.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, decyl pentafluorobenzyl ester.
Sources
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