- InChI
- InChI=1S/C16H15F17O2/c1-2-3-4-5-6-7-35-8(34)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-7H2,1H3
- InChI Key
- UKDOQBCXBIOHIG-UHFFFAOYSA-N
- Formula
- C16H15F17O2
- SMILES
-
CCCCCCCOC(=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
- 562.26
- CAS
- 127392-53-4
- Other Names
-
- Heptadecafluorononanoic acid, heptyl 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 | 0.8187 | Relay (1.0) Calculated Property | |
| ΔfG° | -3439.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4061.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.509 | Crippen Calculated Property | |
| McVol | 273.830 | ml/mol | McGowan Calculated Property |
| Pc | 906.70 | kPa | Joback Calculated Property |
| Inp | 1240.00 | NIST | |
| Tboil | 515.91 | K | Relay (1.0) Calculated Property |
| Tc | 626.65 | K | Relay (1.0) Calculated Property |
| Tfus | 294.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.107 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [831.48; 903.64] | J/mol×K | [603.52; 741.92] | 
|
| Cp,gas | 831.48 | J/mol×K | 603.52 | Joback Calculated Property |
| Cp,gas | 845.69 | J/mol×K | 626.59 | Joback Calculated Property |
| Cp,gas | 858.95 | J/mol×K | 649.65 | Joback Calculated Property |
| Cp,gas | 871.32 | J/mol×K | 672.72 | Joback Calculated Property |
| Cp,gas | 882.85 | J/mol×K | 695.79 | Joback Calculated Property |
| Cp,gas | 893.60 | J/mol×K | 718.86 | Joback Calculated Property |
| Cp,gas | 903.64 | J/mol×K | 741.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl heptadecafluorononanoate.
Sources
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