- InChI
- InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
- InChI Key
- JDCMOHAFGDQQJX-UHFFFAOYSA-N
- Formula
- C10F8
- SMILES
-
Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c
2c1F - Molecular Weight1
- 272.09
- CAS
- 313-72-4
- Other Names
-
- Naphthalene, octafluoro-
- Perfluoronaphthalene
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.5044 | Relay (1.0) Calculated Property | |
| ΔfG° | -1383.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1063.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.24 | kJ/mol | Joback Calculated Property |
| IE | [8.85; 8.90] | eV |
|
| IE | 8.87 ± 0.02 | eV | NIST |
| IE | 8.85 | eV | NIST |
| IE | 8.90 ± 0.05 | eV | NIST |
| IE | 8.85 | eV | NIST |
| logPoct/wat | 3.953 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Pc | 2306.95 | kPa | Joback Calculated Property |
| Inp | [186.73; 1103.00] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 186.73 | NIST | |
| Inp | 189.20 | NIST | |
| Inp | 186.73 | NIST | |
| Ip | [162.99; 162.99] |
|
|
| Ip | 162.99 | NIST | |
| Ip | 162.99 | NIST | |
| Tboil | 482.00 | K | KDB |
| Tc | [673.00; 673.10] | K |
|
| Tc | 673.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tc | 673.10 | K | KDB |
| Tfus | [360.40; 360.60] | K |
|
| Tfus | 360.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 360.60 | K | KDB |
| Vc | 0.499 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 17.55 | kJ/mol | 358.80 | NIST |
| ΔsubH | 79.40 ± 2.50 | kJ/mol | 308.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.36; 358.17] | 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 | 9.15700e+01 | |||
| Coefficient B | 4.89600e-01 | |||
| Coefficient C | -2.83000e-04 | |||
| Coefficient D | 6.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 311.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 326.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 349.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 358.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [359.80; 518.56] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.22011e+01 | |||
| Coefficient B | -2.59380e+03 | |||
| Coefficient C | -1.42084e+02 | |||
| Temperature range, min. | 359.80 | |||
| Temperature range, max. | 518.56 | |||
| Pvap | 1.33 | kPa | 359.80 | Calculated Property |
| Pvap | 3.26 | kPa | 377.44 | Calculated Property |
| Pvap | 7.02 | kPa | 395.08 | Calculated Property |
| Pvap | 13.69 | kPa | 412.72 | Calculated Property |
| Pvap | 24.62 | kPa | 430.36 | Calculated Property |
| Pvap | 41.36 | kPa | 448.00 | Calculated Property |
| Pvap | 65.66 | kPa | 465.64 | Calculated Property |
| Pvap | 99.38 | kPa | 483.28 | Calculated Property |
| Pvap | 144.42 | kPa | 500.92 | Calculated Property |
| Pvap | 202.63 | kPa | 518.56 | Calculated Property |
Similar Compounds
Find more compounds similar to OCTAFLUORONAPHTHALENE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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