- InChI
- InChI=1S/C30H37F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-38-29(36)21-16-15-17-22(19-21)30(37)39-20-23-24(31)26(33)28(35)27(34)25(23)32/h15-17,19H,2-14,18,20H2,1H3
- InChI Key
- MCPXNJSKIZBVPG-UHFFFAOYSA-N
- Formula
- C30H37F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(C(
=O)OCc2c(F)c(F)c(F)c(F)c2F)c1 - Molecular Weight1
- 556.60
- 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° | -1073.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1728.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 80.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.12 | kJ/mol | Joback Calculated Property |
| log10WS | -11.58 | Crippen Calculated Property | |
| logPoct/wat | 8.987 | Crippen Calculated Property | |
| McVol | 409.770 | ml/mol | McGowan Calculated Property |
| Pc | 746.92 | kPa | Joback Calculated Property |
| Inp | [3530.00; 3530.00] |
|
|
| Inp | 3530.00 | NIST | |
| Inp | 3530.00 | NIST | |
| Tboil | 1117.97 | K | Joback Calculated Property |
| Tc | 1396.46 | K | Joback Calculated Property |
| Tfus | 703.09 | K | Joback Calculated Property |
| Vc | 1.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1409.64; 1458.59] | J/mol×K | [1117.97; 1396.46] |
|
| Cp,gas | 1409.64 | J/mol×K | 1117.97 | Joback Calculated Property |
| Cp,gas | 1423.69 | J/mol×K | 1164.38 | Joback Calculated Property |
| Cp,gas | 1435.27 | J/mol×K | 1210.80 | Joback Calculated Property |
| Cp,gas | 1444.47 | J/mol×K | 1257.21 | Joback Calculated Property |
| Cp,gas | 1451.36 | J/mol×K | 1303.63 | Joback Calculated Property |
| Cp,gas | 1456.04 | J/mol×K | 1350.04 | Joback Calculated Property |
| Cp,gas | 1458.59 | J/mol×K | 1396.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentadecyl pentafluorobenzyl ester.
Sources
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