- InChI
- InChI=1S/C21H21F3O4/c1-2-3-4-7-10-27-20(25)15-8-5-6-9-16(15)21(26)28-13-14-11-17(22)19(24)18(23)12-14/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3
- InChI Key
- ULBJFEIEWGNKLU-UHFFFAOYSA-N
- Formula
- C21H21F3O4
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCc1c
c(F)c(F)c(F)c1 - Molecular Weight1
- 394.38
- 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° | -740.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1127.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.40 | kJ/mol | Joback Calculated Property |
| log10WS | -7.15 | Crippen Calculated Property | |
| logPoct/wat | 5.198 | Crippen Calculated Property | |
| McVol | 279.420 | ml/mol | McGowan Calculated Property |
| Pc | 1397.50 | kPa | Joback Calculated Property |
| Inp | [2308.00; 2308.00] |
|
|
| Inp | 2308.00 | NIST | |
| Inp | 2308.00 | NIST | |
| Tboil | 903.55 | K | Joback Calculated Property |
| Tc | 1114.31 | K | Joback Calculated Property |
| Tfus | 575.44 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [857.56; 916.79] | J/mol×K | [903.55; 1114.31] |
|
| Cp,gas | 857.56 | J/mol×K | 903.55 | Joback Calculated Property |
| Cp,gas | 870.32 | J/mol×K | 938.68 | Joback Calculated Property |
| Cp,gas | 881.90 | J/mol×K | 973.80 | Joback Calculated Property |
| Cp,gas | 892.31 | J/mol×K | 1008.93 | Joback Calculated Property |
| Cp,gas | 901.59 | J/mol×K | 1044.06 | Joback Calculated Property |
| Cp,gas | 909.74 | J/mol×K | 1079.18 | Joback Calculated Property |
| Cp,gas | 916.79 | J/mol×K | 1114.31 | Joback Calculated Property |
Similar Compounds
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Sources
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