- InChI
- InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62
- InChI Key
- WSXNCJNDCDTRSA-UHFFFAOYSA-N
- Formula
- C20F42
- SMILES
-
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C
(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F )(F)C(F)(F)C(F)(F)C(F)(F)C(F)( F)C(F)(F)C(F)(F)C(F)(F)C(F)(F) C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 1038.14
- Other Names
-
- dotetracontafluoroeicosane
- eicosane, dotetracontafluoro-
- perfluoroeicosane
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.9789 | Relay (1.0) Calculated Property | |
| ΔfG° | -8007.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8645.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.30 | kJ/mol | Applications of Correlation Gas Chromatography and Transpiration Studies for the Evaluation of the Vaporization and Sublimation Enthalpies of Some Perfluorinated Hydrocarbons |
| ΔvapH° | 81.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 13.546 | Crippen Calculated Property | |
| McVol | 367.000 | ml/mol | McGowan Calculated Property |
| Pc | 462.88 | kPa | Joback Calculated Property |
| Tboil | 571.26 | K | Relay (1.0) Calculated Property |
| Tc | 613.12 | K | Relay (1.0) Calculated Property |
| Tfus | [435.60; 443.20] | K |
|
| Tfus | 437.90 ± 0.50 | K | NIST |
| Tfus | 437.90 ± 0.20 | K | NIST |
| Tfus | 435.60 ± 0.20 | K | NIST |
| Tfus | 443.20 ± 0.20 | K | NIST |
| Vc | 1.697 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [0.67; 80.33] | kJ/mol | [149.50; 437.90] |
|
| ΔfusH | 0.67 | kJ/mol | 149.50 | NIST |
| ΔfusH | 11.25 | kJ/mol | 202.90 | NIST |
| ΔfusH | 80.33 | kJ/mol | 437.90 | NIST |
| ΔfusH | 80.33 | kJ/mol | 437.90 | NIST |
| ΔfusS | [4.48; 183.44] | J/mol×K | [149.50; 437.90] |
|
| ΔfusS | 4.48 | J/mol×K | 149.50 | NIST |
| ΔfusS | 55.45 | J/mol×K | 202.90 | NIST |
| ΔfusS | 183.44 | J/mol×K | 437.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.90; 1377.47] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.48930e+02 | |||
| Coefficient B | 4.91540e+00 | |||
| Coefficient C | -5.18900e-03 | |||
| Coefficient D | 1.90000e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 744.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 924.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1063.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1166.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1239.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1290.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1322.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1344.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1360.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1377.47 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to DOTETRACONTAFLUOROICOSANE.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Applications of Correlation Gas Chromatography and Transpiration Studies for the Evaluation of the Vaporization and Sublimation Enthalpies of Some Perfluorinated Hydrocarbons
- Joback Method
- McGowan Method
- NIST Webbook
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