- InChI
- InChI=1S/C8H3F13O2/c1-23-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3
- InChI Key
- JHROQORAJUWVCD-UHFFFAOYSA-N
- Formula
- C8H3F13O2
- SMILES
-
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(
F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 378.09
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid 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 | 0.5203 | Relay (1.0) Calculated Property | |
| ΔfG° | -2732.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3110.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.898 | Crippen Calculated Property | |
| McVol | 154.030 | ml/mol | McGowan Calculated Property |
| Pc | 1720.31 | kPa | Joback Calculated Property |
| Inp | [653.00; 653.20] |
|
|
| Inp | 653.00 | NIST | |
| Inp | 653.20 | NIST | |
| Tboil | 405.25 | K | Relay (1.0) Calculated Property |
| Tc | 541.99 | K | Relay (1.0) Calculated Property |
| Tfus | 257.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.08; 460.58] | J/mol×K | [429.86; 562.41] |
|
| Cp,gas | 400.08 | J/mol×K | 429.86 | Joback Calculated Property |
| Cp,gas | 412.04 | J/mol×K | 451.95 | Joback Calculated Property |
| Cp,gas | 423.20 | J/mol×K | 474.04 | Joback Calculated Property |
| Cp,gas | 433.61 | J/mol×K | 496.13 | Joback Calculated Property |
| Cp,gas | 443.28 | J/mol×K | 518.23 | Joback Calculated Property |
| Cp,gas | 452.26 | J/mol×K | 540.32 | Joback Calculated Property |
| Cp,gas | 460.58 | J/mol×K | 562.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl perfluoroheptanoate.
Sources
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