- InChI
- InChI=1S/C34H61F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-43-31(42)32(35,36)33(37,38)34(39,40)41/h2-30H2,1H3
- InChI Key
- SYHLYSKOBILJEH-UHFFFAOYSA-N
- Formula
- C34H61F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OC(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 634.84
- Other Names
-
- Triacontyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Triacontanol, heptafluorobutyrate
- Triacontyl perfluorobutyrate
- 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 | 1.4578 | Relay (1.0) Calculated Property | |
| ΔfG° | -1353.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2435.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 85.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 152.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.305 | Crippen Calculated Property | |
| McVol | 509.750 | ml/mol | McGowan Calculated Property |
| Pc | 453.85 | kPa | Joback Calculated Property |
| Inp | 3177.90 | NIST | |
| Tboil | 681.21 | K | Relay (1.0) Calculated Property |
| Tc | 786.87 | K | Relay (1.0) Calculated Property |
| Tfus | 307.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.953 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1861.31; 2041.99] | J/mol×K | [1038.81; 1361.76] | 
|
| Cp,gas | 1861.31 | J/mol×K | 1038.81 | Joback Calculated Property |
| Cp,gas | 1895.55 | J/mol×K | 1092.64 | Joback Calculated Property |
| Cp,gas | 1927.41 | J/mol×K | 1146.46 | Joback Calculated Property |
| Cp,gas | 1957.43 | J/mol×K | 1200.29 | Joback Calculated Property |
| Cp,gas | 1986.18 | J/mol×K | 1254.11 | Joback Calculated Property |
| Cp,gas | 2014.18 | J/mol×K | 1307.94 | Joback Calculated Property |
| Cp,gas | 2041.99 | J/mol×K | 1361.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Triacontyl heptafluorobutyrate.
Sources
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