- InChI
- InChI=1S/C36H65F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-45-33(44)34(37,38)35(39,40)36(41,42)43/h2-32H2,1H3
- InChI Key
- HDYLMIWYXVQKDS-UHFFFAOYSA-N
- Formula
- C36H65F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 662.89
- Other Names
-
- Dotriacontyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Dotriacontanol, heptafluorobutyrate
- Dotriacontyl perfluorobutyrate
- 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° | -1336.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2430.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 91.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.28 | kJ/mol | Joback Calculated Property |
| log10WS | -15.04 | Crippen Calculated Property | |
| logPoct/wat | 14.085 | Crippen Calculated Property | |
| McVol | 537.930 | ml/mol | McGowan Calculated Property |
| Pc | 418.88 | kPa | Joback Calculated Property |
| Inp | 3370.90 | NIST | |
| Tboil | 1084.57 | K | Joback Calculated Property |
| Tc | 1458.04 | K | Joback Calculated Property |
| Tfus | 579.03 | K | Joback Calculated Property |
| Vc | 2.168 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1997.21; 2210.68] | J/mol×K | [1084.57; 1458.04] | 
|
| Cp,gas | 1997.21 | J/mol×K | 1084.57 | Joback Calculated Property |
| Cp,gas | 2036.49 | J/mol×K | 1146.82 | Joback Calculated Property |
| Cp,gas | 2073.11 | J/mol×K | 1209.06 | Joback Calculated Property |
| Cp,gas | 2107.96 | J/mol×K | 1271.31 | Joback Calculated Property |
| Cp,gas | 2141.92 | J/mol×K | 1333.55 | Joback Calculated Property |
| Cp,gas | 2175.87 | J/mol×K | 1395.80 | Joback Calculated Property |
| Cp,gas | 2210.68 | J/mol×K | 1458.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dotriacontyl heptafluorobutyrate.
Sources
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