- InChI
- InChI=1S/C41H77F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-48-39(47)40(42,43)41(44,45)46/h2-38H2,1H3
- InChI Key
- YWJGNYMMXDJUCM-UHFFFAOYSA-N
- Formula
- C41H77F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCOC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 697.04
- Other Names
-
- Octatriacontyl 2,2,3,3,3-pentafluoropropanoate
- 1-Octatriacontanol, 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 | 1.6964 | Relay (1.0) Calculated Property | |
| ΔfG° | -907.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2175.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 105.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 186.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.791 | Crippen Calculated Property | |
| McVol | 604.840 | ml/mol | McGowan Calculated Property |
| Pc | 356.67 | kPa | Joback Calculated Property |
| Inp | [3938.40; 3938.40] |
|
|
| Inp | 3938.40 | NIST | |
| Inp | 3938.40 | NIST | |
| Tboil | 724.28 | K | Relay (1.0) Calculated Property |
| Tc | 845.30 | K | Relay (1.0) Calculated Property |
| Tfus | 332.10 | K | Relay (1.0) Calculated Property |
| Vc | 2.330 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2330.87; 2650.38] | J/mol×K | [1203.66; 1741.75] |
|
| Cp,gas | 2330.87 | J/mol×K | 1203.66 | Joback Calculated Property |
| Cp,gas | 2385.10 | J/mol×K | 1293.34 | Joback Calculated Property |
| Cp,gas | 2435.56 | J/mol×K | 1383.02 | Joback Calculated Property |
| Cp,gas | 2484.79 | J/mol×K | 1472.70 | Joback Calculated Property |
| Cp,gas | 2535.32 | J/mol×K | 1562.38 | Joback Calculated Property |
| Cp,gas | 2589.67 | J/mol×K | 1652.07 | Joback Calculated Property |
| Cp,gas | 2650.38 | J/mol×K | 1741.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octatriacontyl pentafluoropropionate.
Sources
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