- InChI
- InChI=1S/C31H49F3O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(36-29(35)31(32,33)34)23(5)24(6)28(26)37-30/h20-22H,9-19H2,1-8H3
- InChI Key
- WYAUJGNEMXZKRS-UHFFFAOYSA-N
- Formula
- C31H49F3O3
- SMILES
-
Cc1c(C)c2c(c(C)c1OC(=O)C(F)(F)
F)CCC(C)(CCCC(C)CCCC(C)CCCC(C) C)O2 - Molecular Weight1
- 526.71
- 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° | -591.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1411.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.88 | kJ/mol | Joback Calculated Property |
| log10WS | -11.20 | Crippen Calculated Property | |
| logPoct/wat | 9.602 | Crippen Calculated Property | |
| McVol | 431.650 | ml/mol | McGowan Calculated Property |
| Pc | 695.08 | kPa | Joback Calculated Property |
| Inp | [2918.00; 2918.00] |
|
|
| Inp | 2918.00 | NIST | |
| Inp | 2918.00 | NIST | |
| Tboil | 1068.01 | K | Joback Calculated Property |
| Tc | 1314.18 | K | Joback Calculated Property |
| Tfus | 624.39 | K | Joback Calculated Property |
| Vc | 1.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1572.44; 1744.96] | J/mol×K | [1068.01; 1314.18] |
|
| Cp,gas | 1572.44 | J/mol×K | 1068.01 | Joback Calculated Property |
| Cp,gas | 1600.48 | J/mol×K | 1109.04 | Joback Calculated Property |
| Cp,gas | 1628.45 | J/mol×K | 1150.07 | Joback Calculated Property |
| Cp,gas | 1656.62 | J/mol×K | 1191.09 | Joback Calculated Property |
| Cp,gas | 1685.25 | J/mol×K | 1232.12 | Joback Calculated Property |
| Cp,gas | 1714.61 | J/mol×K | 1273.15 | Joback Calculated Property |
| Cp,gas | 1744.96 | J/mol×K | 1314.18 | Joback Calculated Property |
Similar Compounds
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Sources
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