- InChI
- InChI=1S/C30H42F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-41-25(39)23-18-17-19-24(21-23)26(40)42-22-28(33,34)30(37,38)29(35,36)27(31)32/h17-19,21,27H,2-16,20,22H2,1H3
- InChI Key
- GAXDXSKGNONBRZ-UHFFFAOYSA-N
- Formula
- C30H42F8O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1cccc(
C(=O)OCC(F)(F)C(F)(F)C(F)(F)C( F)F)c1 - Molecular Weight1
- 618.64
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3787 | Relay (1.0) Calculated Property | |
| ΔfG° | -1715.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2605.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.043 | Crippen Calculated Property | |
| McVol | 438.840 | ml/mol | McGowan Calculated Property |
| Pc | 629.71 | kPa | Joback Calculated Property |
| Inp | 3163.00 | NIST | |
| Tboil | 713.66 | K | Relay (1.0) Calculated Property |
| Tc | 873.56 | K | Relay (1.0) Calculated Property |
| Tfus | 327.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.651 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1548.76; 1652.83] | J/mol×K | [1054.07; 1326.63] | 
|
| Cp,gas | 1548.76 | J/mol×K | 1054.07 | Joback Calculated Property |
| Cp,gas | 1569.17 | J/mol×K | 1099.50 | Joback Calculated Property |
| Cp,gas | 1587.99 | J/mol×K | 1144.92 | Joback Calculated Property |
| Cp,gas | 1605.50 | J/mol×K | 1190.35 | Joback Calculated Property |
| Cp,gas | 1621.96 | J/mol×K | 1235.78 | Joback Calculated Property |
| Cp,gas | 1637.65 | J/mol×K | 1281.21 | Joback Calculated Property |
| Cp,gas | 1652.83 | J/mol×K | 1326.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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