- InChI
- InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
- InChI Key
- XOCNYZFAMHDXJK-UHFFFAOYSA-N
- Formula
- C9H3F15O2
- SMILES
-
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(
F)(F)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 428.10
- CAS
- 376-27-2
- Other Names
-
- Methyl perfluorooctanoate
- Pentadecafluorooctanoic acid, methyl ester
- Methylpentadecafluorooctanoate
- Octanoic acid, perfluoro-, methyl ester
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5610 | Relay (1.0) Calculated Property | |
| ΔfG° | -3111.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3515.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.534 | Crippen Calculated Property | |
| McVol | 171.660 | ml/mol | McGowan Calculated Property |
| Pc | 1504.65 | kPa | Joback Calculated Property |
| Inp | 549.00 | NIST | |
| Tboil | 431.50 ± 0.50 | K | NIST |
| Tc | 560.59 | K | Relay (1.0) Calculated Property |
| Tfus | 277.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.84; 525.51] | J/mol×K | [448.05; 576.84] | 
|
| Cp,gas | 462.84 | J/mol×K | 448.05 | Joback Calculated Property |
| Cp,gas | 475.27 | J/mol×K | 469.52 | Joback Calculated Property |
| Cp,gas | 486.85 | J/mol×K | 490.98 | Joback Calculated Property |
| Cp,gas | 497.63 | J/mol×K | 512.45 | Joback Calculated Property |
| Cp,gas | 507.64 | J/mol×K | 533.91 | Joback Calculated Property |
| Cp,gas | 516.92 | J/mol×K | 555.38 | Joback Calculated Property |
| Cp,gas | 525.51 | J/mol×K | 576.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, pentadecafluoro-, methyl ester.
Sources
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