- InChI
- InChI=1S/C30H55F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37-28(36)29(31,32)30(33,34)35/h2-27H2,1H3
- InChI Key
- COLXSPGAJFFLTE-UHFFFAOYSA-N
- Formula
- C30H55F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(
=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 542.75
- Other Names
-
- Heptacosyl 2,2,3,3,3-pentafluoropropanoate
- 1-Heptacosanol, pentafluoropropionate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1000.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1905.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 76.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.85 | kJ/mol | Joback Calculated Property |
| log10WS | -12.22 | Crippen Calculated Property | |
| logPoct/wat | 11.500 | Crippen Calculated Property | |
| McVol | 449.850 | ml/mol | McGowan Calculated Property |
| Pc | 556.51 | kPa | Joback Calculated Property |
| Inp | [2868.40; 2868.40] |
|
|
| Inp | 2868.40 | NIST | |
| Inp | 2868.40 | NIST | |
| Tboil | 951.98 | K | Joback Calculated Property |
| Tc | 1197.03 | K | Joback Calculated Property |
| Tfus | 507.81 | K | Joback Calculated Property |
| Vc | 1.808 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1581.49; 1718.66] | J/mol×K | [951.98; 1197.03] |
|
| Cp,gas | 1581.49 | J/mol×K | 951.98 | Joback Calculated Property |
| Cp,gas | 1608.34 | J/mol×K | 992.82 | Joback Calculated Property |
| Cp,gas | 1633.35 | J/mol×K | 1033.66 | Joback Calculated Property |
| Cp,gas | 1656.70 | J/mol×K | 1074.50 | Joback Calculated Property |
| Cp,gas | 1678.58 | J/mol×K | 1115.35 | Joback Calculated Property |
| Cp,gas | 1699.17 | J/mol×K | 1156.19 | Joback Calculated Property |
| Cp,gas | 1718.66 | J/mol×K | 1197.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosyl pentafluoropropionate.
Sources
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