- InChI
- InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2
- InChI Key
- PJDOLCGOTSNFJM-UHFFFAOYSA-N
- Formula
- C8H3F15O
- SMILES
-
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)
C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 400.08
- CAS
- 307-30-2
- Other Names
-
- (perfluoroheptyl)methanol
- 1,1-dihydroperfluorooctanol
- 1,1H-perfluorooctanol
- 1H,1H-Pentadecafluoro-1-octanol
- 1H,1H-Pentadecafluorooctanol
- 1H,1H-Pentadecafluorooctanol-1
- 1H,1H-Perfluoro-1-octanol
- 1H,1H-Perfluorooctanol
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl alcohol
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol
- Caprylic alcohol, pentadecafluoro-
- Pentadecafluorocaprylic alcohol
- Pentadecafluorooctyl alcohol
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization 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).
- 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 | 0.6782 | Relay (1.0) Calculated Property | |
| ΔfG° | -3022.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3361.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.90 | kJ/mol | Evidence of an odd-even effect on the thermodynamic parameters of odd fluorotelomer alcohols |
| ΔvapH° | 71.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.353 | Crippen Calculated Property | |
| McVol | 156.000 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Tboil | [419.00; 437.20] | K |
|
| Tboil | 437.20 | K | NIST |
| Tboil | 419.00 | K | NIST |
| Tc | 580.59 | K | Relay (1.0) Calculated Property |
| Tfus | 311.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.675 | 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 |
|---|---|---|---|---|
| Cp,gas | [430.00; 487.26] | J/mol×K | [441.06; 561.29] |
|
| Cp,gas | 430.00 | J/mol×K | 441.06 | Joback Calculated Property |
| Cp,gas | 441.33 | J/mol×K | 461.10 | Joback Calculated Property |
| Cp,gas | 451.91 | J/mol×K | 481.14 | Joback Calculated Property |
| Cp,gas | 461.76 | J/mol×K | 501.18 | Joback Calculated Property |
| Cp,gas | 470.91 | J/mol×K | 521.21 | Joback Calculated Property |
| Cp,gas | 479.40 | J/mol×K | 541.25 | Joback Calculated Property |
| Cp,gas | 487.26 | J/mol×K | 561.29 | Joback Calculated Property |
| ΔvapH | 53.30 | kJ/mol | 393.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [337.78; 458.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.93403e+01 | |||
| Coefficient B | -6.43573e+03 | |||
| Temperature range, min. | 337.78 | |||
| Temperature range, max. | 458.75 | |||
| Pvap | 1.33 | kPa | 337.78 | Calculated Property |
| Pvap | 2.76 | kPa | 351.22 | Calculated Property |
| Pvap | 5.43 | kPa | 364.66 | Calculated Property |
| Pvap | 10.17 | kPa | 378.10 | Calculated Property |
| Pvap | 18.24 | kPa | 391.54 | Calculated Property |
| Pvap | 31.47 | kPa | 404.99 | Calculated Property |
| Pvap | 52.43 | kPa | 418.43 | Calculated Property |
| Pvap | 84.63 | kPa | 431.87 | Calculated Property |
| Pvap | 132.70 | kPa | 445.31 | Calculated Property |
| Pvap | 202.66 | kPa | 458.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Evidence of an odd-even effect on the thermodynamic parameters of odd fluorotelomer alcohols
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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