- InChI
- InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-33-28(31)24-17-15-18-25(22-24)29(32)34-27-20-16-19-26(30)23-27/h15-20,22-23H,2-14,21H2,1H3
- InChI Key
- JOZSORHPPVONAJ-UHFFFAOYSA-N
- Formula
- C29H39FO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(C(
=O)Oc2cccc(F)c2)c1 - Molecular Weight1
- 470.62
- 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° | -263.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -877.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.52 | kJ/mol | Joback Calculated Property |
| log10WS | -9.99 | Crippen Calculated Property | |
| logPoct/wat | 8.293 | Crippen Calculated Property | |
| McVol | 388.600 | ml/mol | McGowan Calculated Property |
| Pc | 905.61 | kPa | Joback Calculated Property |
| Inp | [3620.00; 3620.00] |
|
|
| Inp | 3620.00 | NIST | |
| Inp | 3620.00 | NIST | |
| Tboil | 1078.09 | K | Joback Calculated Property |
| Tc | 1322.44 | K | Joback Calculated Property |
| Tfus | 639.38 | K | Joback Calculated Property |
| Vc | 1.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1327.76; 1391.47] | J/mol×K | [1078.09; 1322.44] |
|
| Cp,gas | 1327.76 | J/mol×K | 1078.09 | Joback Calculated Property |
| Cp,gas | 1342.44 | J/mol×K | 1118.81 | Joback Calculated Property |
| Cp,gas | 1355.38 | J/mol×K | 1159.54 | Joback Calculated Property |
| Cp,gas | 1366.66 | J/mol×K | 1200.26 | Joback Calculated Property |
| Cp,gas | 1376.38 | J/mol×K | 1240.99 | Joback Calculated Property |
| Cp,gas | 1384.62 | J/mol×K | 1281.71 | Joback Calculated Property |
| Cp,gas | 1391.47 | J/mol×K | 1322.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-fluorophenyl pentadecyl ester.
Sources
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