- InChI
- InChI=1S/C33H61F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-40-31(39)32(34,35)33(36,37)38/h2-30H2,1H3
- InChI Key
- FQGLWEGVMMDANK-UHFFFAOYSA-N
- Formula
- C33H61F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 584.83
- Other Names
-
- Triacontyl 2,2,3,3,3-pentafluoropropanoate
- 1-Triacontanol, 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 | 1.4160 | Relay (1.0) Calculated Property | |
| ΔfG° | -975.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2025.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 84.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 151.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.670 | Crippen Calculated Property | |
| McVol | 492.120 | ml/mol | McGowan Calculated Property |
| Pc | 487.95 | kPa | Joback Calculated Property |
| Inp | 3157.00 | NIST | |
| Tboil | 670.69 | K | Relay (1.0) Calculated Property |
| Tc | 791.43 | K | Relay (1.0) Calculated Property |
| Tfus | 320.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.894 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1781.66; 1942.04] | J/mol×K | [1020.62; 1316.19] | 
|
| Cp,gas | 1781.66 | J/mol×K | 1020.62 | Joback Calculated Property |
| Cp,gas | 1813.24 | J/mol×K | 1069.88 | Joback Calculated Property |
| Cp,gas | 1842.41 | J/mol×K | 1119.14 | Joback Calculated Property |
| Cp,gas | 1869.53 | J/mol×K | 1168.41 | Joback Calculated Property |
| Cp,gas | 1894.94 | J/mol×K | 1217.67 | Joback Calculated Property |
| Cp,gas | 1918.99 | J/mol×K | 1266.93 | Joback Calculated Property |
| Cp,gas | 1942.04 | J/mol×K | 1316.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Triacontyl pentafluoropropionate.
Sources
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