- InChI
- InChI=1S/C38H69F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-47-35(46)36(39,40)37(41,42)38(43,44)45/h2-34H2,1H3
- InChI Key
- DGGUHEYSIUTPKS-UHFFFAOYSA-N
- Formula
- C38H69F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F )F - Molecular Weight1
- 690.94
- Other Names
-
- Tetratriacontyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Tetratriacontanol, heptafluorobutyrate
- Tetratriacontyl 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° | -1319.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2471.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 96.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.73 | kJ/mol | Joback Calculated Property |
| log10WS | -15.88 | Crippen Calculated Property | |
| logPoct/wat | 14.866 | Crippen Calculated Property | |
| McVol | 566.110 | ml/mol | McGowan Calculated Property |
| Pc | 387.81 | kPa | Joback Calculated Property |
| Inp | [3567.20; 3567.20] |
|
|
| Inp | 3567.20 | NIST | |
| Inp | 3567.20 | NIST | |
| Tboil | 1130.33 | K | Joback Calculated Property |
| Tc | 1565.55 | K | Joback Calculated Property |
| Tfus | 601.57 | K | Joback Calculated Property |
| Vc | 2.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2134.69; 2395.71] | J/mol×K | [1130.33; 1565.55] |
|
| Cp,gas | 2134.69 | J/mol×K | 1130.33 | Joback Calculated Property |
| Cp,gas | 2180.29 | J/mol×K | 1202.87 | Joback Calculated Property |
| Cp,gas | 2223.12 | J/mol×K | 1275.40 | Joback Calculated Property |
| Cp,gas | 2264.63 | J/mol×K | 1347.94 | Joback Calculated Property |
| Cp,gas | 2306.27 | J/mol×K | 1420.47 | Joback Calculated Property |
| Cp,gas | 2349.48 | J/mol×K | 1493.01 | Joback Calculated Property |
| Cp,gas | 2395.71 | J/mol×K | 1565.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetratriacontyl heptafluorobutyrate.
Sources
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