- InChI
- InChI=1S/C22H25F7O3/c1-19-9-8-14-13-5-3-12(30)10-11(13)2-4-15(14)16(19)6-7-17(19)32-18(31)20(23,24)21(25,26)22(27,28)29/h10,13-17H,2-9H2,1H3/t13?,14?,15?,16?,17-,19+/m0/s1
- InChI Key
- BMBDDMGNZZCDHG-DVRUMADJSA-N
- Formula
- C22H25F7O3
- SMILES
-
CC12CCC3C4CCC(=O)C=C4CCC3C1CCC
2OC(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 470.42
- 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° | -1395.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1997.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.06 | kJ/mol | Joback Calculated Property |
| log10WS | -6.80 | Crippen Calculated Property | |
| logPoct/wat | 5.873 | Crippen Calculated Property | |
| McVol | 294.500 | ml/mol | McGowan Calculated Property |
| Pc | 1220.85 | kPa | Joback Calculated Property |
| Inp | [2440.00; 2440.00] |
|
|
| Inp | 2440.00 | NIST | |
| Inp | 2440.00 | NIST | |
| Tboil | 875.42 | K | Joback Calculated Property |
| Tc | 1090.90 | K | Joback Calculated Property |
| Tfus | 572.33 | K | Joback Calculated Property |
| Vc | 1.161 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1061.71; 1177.06] | J/mol×K | [875.42; 1090.90] |
|
| Cp,gas | 1061.71 | J/mol×K | 875.42 | Joback Calculated Property |
| Cp,gas | 1081.75 | J/mol×K | 911.33 | Joback Calculated Property |
| Cp,gas | 1101.17 | J/mol×K | 947.25 | Joback Calculated Property |
| Cp,gas | 1120.19 | J/mol×K | 983.16 | Joback Calculated Property |
| Cp,gas | 1139.03 | J/mol×K | 1019.07 | Joback Calculated Property |
| Cp,gas | 1157.91 | J/mol×K | 1054.98 | Joback Calculated Property |
| Cp,gas | 1177.06 | J/mol×K | 1090.90 | Joback Calculated Property |
Similar Compounds
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Sources
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