- InChI
- InChI=1S/C17H17F17O2/c1-2-3-4-5-6-7-8-36-9(35)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-8H2,1H3
- InChI Key
- MVFZHZANFQYMQM-UHFFFAOYSA-N
- Formula
- C17H17F17O2
- SMILES
-
CCCCCCCCOC(=O)C(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
- 576.29
- 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 | 0.8561 | Relay (1.0) Calculated Property | |
| ΔfG° | -3430.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4083.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.900 | Crippen Calculated Property | |
| McVol | 287.920 | ml/mol | McGowan Calculated Property |
| Pc | 856.47 | kPa | Joback Calculated Property |
| Inp | [1328.00; 1328.00] |
|
|
| Inp | 1328.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Tboil | 527.79 | K | Relay (1.0) Calculated Property |
| Tc | 635.86 | K | Relay (1.0) Calculated Property |
| Tfus | 298.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.76; 959.68] | J/mol×K | [626.40; 768.32] |
|
| Cp,gas | 885.76 | J/mol×K | 626.40 | Joback Calculated Property |
| Cp,gas | 900.30 | J/mol×K | 650.05 | Joback Calculated Property |
| Cp,gas | 913.87 | J/mol×K | 673.71 | Joback Calculated Property |
| Cp,gas | 926.52 | J/mol×K | 697.36 | Joback Calculated Property |
| Cp,gas | 938.34 | J/mol×K | 721.01 | Joback Calculated Property |
| Cp,gas | 949.37 | J/mol×K | 744.67 | Joback Calculated Property |
| Cp,gas | 959.68 | J/mol×K | 768.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, octyl ester.
Sources
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