- InChI
- InChI=1S/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
- InChI Key
- NBEDTLDKOMPAQK-UHFFFAOYSA-N
- Formula
- C16F30O3
- SMILES
-
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F
)C(F)(F)C(F)(F)C(F)(F)C(F)(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
- 810.12
- CAS
- 33496-48-9
- Other Names
-
- Pentadecafluorooctanoic anhydride
- Pentadecafluorooctanoic acid anhydride
- Perfluorooctanoic anhydride
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.8684 | Relay (1.0) Calculated Property | |
| ΔfG° | -6159.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6691.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 8.804 | Crippen Calculated Property | |
| McVol | 298.410 | ml/mol | McGowan Calculated Property |
| Pc | 703.59 | kPa | Joback Calculated Property |
| Tboil | 515.63 | K | Relay (1.0) Calculated Property |
| Tc | 623.69 | K | Relay (1.0) Calculated Property |
| Tfus | 402.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.301 | 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 | [972.23; 1029.01] | J/mol×K | [610.65; 748.45] | 
|
| Cp,gas | 972.23 | J/mol×K | 610.65 | Joback Calculated Property |
| Cp,gas | 984.50 | J/mol×K | 633.62 | Joback Calculated Property |
| Cp,gas | 995.53 | J/mol×K | 656.58 | Joback Calculated Property |
| Cp,gas | 1005.39 | J/mol×K | 679.55 | Joback Calculated Property |
| Cp,gas | 1014.20 | J/mol×K | 702.52 | Joback Calculated Property |
| Cp,gas | 1022.04 | J/mol×K | 725.49 | Joback Calculated Property |
| Cp,gas | 1029.01 | J/mol×K | 748.45 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Octanoic acid, pentadecafluoro-, anhydride.
Sources
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