- InChI
- InChI=1S/C39H73F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-46-37(45)38(40,41)39(42,43)44/h2-36H2,1H3
- InChI Key
- LOCRWHYJIWHMIX-UHFFFAOYSA-N
- Formula
- C39H73F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCOC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 668.99
- Other Names
-
- Hexatriacontyl 2,2,3,3,3-pentafluoropropanoate
- 1-Hexatriacontanol, pentafluoropropionate
- 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 | 1.6263 | Relay (1.0) Calculated Property | |
| ΔfG° | -924.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2137.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 100.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 177.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.011 | Crippen Calculated Property | |
| McVol | 576.660 | ml/mol | McGowan Calculated Property |
| Pc | 384.02 | kPa | Joback Calculated Property |
| Inp | 3742.40 | NIST | |
| Tboil | 711.27 | K | Relay (1.0) Calculated Property |
| Tc | 832.83 | K | Relay (1.0) Calculated Property |
| Tfus | 329.28 | K | Relay (1.0) Calculated Property |
| Vc | 2.221 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2191.68; 2445.76] | J/mol×K | [1157.90; 1616.18] | 
|
| Cp,gas | 2191.68 | J/mol×K | 1157.90 | Joback Calculated Property |
| Cp,gas | 2238.27 | J/mol×K | 1234.28 | Joback Calculated Property |
| Cp,gas | 2281.17 | J/mol×K | 1310.66 | Joback Calculated Property |
| Cp,gas | 2321.86 | J/mol×K | 1387.04 | Joback Calculated Property |
| Cp,gas | 2361.86 | J/mol×K | 1463.42 | Joback Calculated Property |
| Cp,gas | 2402.66 | J/mol×K | 1539.80 | Joback Calculated Property |
| Cp,gas | 2445.76 | J/mol×K | 1616.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexatriacontyl pentafluoropropionate.
Sources
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