- InChI
- InChI=1S/C35H65F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-42-33(41)34(36,37)35(38,39)40/h2-32H2,1H3
- InChI Key
- QJTLRFYOMMIMKF-UHFFFAOYSA-N
- Formula
- C35H65F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCOC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 612.88
- Other Names
-
- Dotriacontyl 2,2,3,3,3-pentafluoropropanoate
- 1-Dotriacontanol, 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 | 1.4861 | Relay (1.0) Calculated Property | |
| ΔfG° | -958.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2063.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 89.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 159.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.450 | Crippen Calculated Property | |
| McVol | 520.300 | ml/mol | McGowan Calculated Property |
| Pc | 449.06 | kPa | Joback Calculated Property |
| Inp | 3351.40 | NIST | |
| Tboil | 684.62 | K | Relay (1.0) Calculated Property |
| Tc | 805.69 | K | Relay (1.0) Calculated Property |
| Tfus | 323.36 | K | Relay (1.0) Calculated Property |
| Vc | 2.003 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1917.01; 2098.86] | J/mol×K | [1066.38; 1405.67] | 
|
| Cp,gas | 1917.01 | J/mol×K | 1066.38 | Joback Calculated Property |
| Cp,gas | 1952.61 | J/mol×K | 1122.93 | Joback Calculated Property |
| Cp,gas | 1985.35 | J/mol×K | 1179.48 | Joback Calculated Property |
| Cp,gas | 2015.79 | J/mol×K | 1236.02 | Joback Calculated Property |
| Cp,gas | 2044.48 | J/mol×K | 1292.57 | Joback Calculated Property |
| Cp,gas | 2071.99 | J/mol×K | 1349.12 | Joback Calculated Property |
| Cp,gas | 2098.86 | J/mol×K | 1405.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dotriacontyl pentafluoropropionate.
Sources
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