- InChI
- InChI=1S/C23H27F7O3/c1-19-9-7-13(31)11-12(19)3-4-14-15-5-6-17(20(15,2)10-8-16(14)19)33-18(32)21(24,25)22(26,27)23(28,29)30/h11,14-17H,3-10H2,1-2H3/t14?,15?,16?,17-,19-,20-/m1/s1
- InChI Key
- ZRANHFFRDGWPRP-XVBHISAFSA-N
- Formula
- C23H27F7O3
- SMILES
-
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(
OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C CC12 - Molecular Weight1
- 484.45
- 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° | -1392.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2003.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.13 | kJ/mol | Joback Calculated Property |
| log10WS | -7.22 | Crippen Calculated Property | |
| logPoct/wat | 6.263 | Crippen Calculated Property | |
| McVol | 308.590 | ml/mol | McGowan Calculated Property |
| Pc | 1178.47 | kPa | Joback Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 898.54 | K | Joback Calculated Property |
| Tc | 1117.72 | K | Joback Calculated Property |
| Tfus | 607.50 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1122.35; 1272.64] | J/mol×K | [898.54; 1117.72] |
|
| Cp,gas | 1122.35 | J/mol×K | 898.54 | Joback Calculated Property |
| Cp,gas | 1145.66 | J/mol×K | 935.07 | Joback Calculated Property |
| Cp,gas | 1169.24 | J/mol×K | 971.60 | Joback Calculated Property |
| Cp,gas | 1193.40 | J/mol×K | 1008.13 | Joback Calculated Property |
| Cp,gas | 1218.47 | J/mol×K | 1044.66 | Joback Calculated Property |
| Cp,gas | 1244.77 | J/mol×K | 1081.19 | Joback Calculated Property |
| Cp,gas | 1272.64 | J/mol×K | 1117.72 | Joback Calculated Property |
Similar Compounds
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Sources
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