- InChI
- InChI=1S/C16H25F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-13(24)14(17,18)15(19,20)16(21,22)23/h2-12H2,1H3
- InChI Key
- VHUDBNCZZWHQHU-UHFFFAOYSA-N
- Formula
- C16H25F7O2
- SMILES
-
CCCCCCCCCCCCOC(=O)C(F)(F)C(F)(
F)C(F)(F)F - Molecular Weight1
- 382.36
- CAS
- 6222-08-8
- Other Names
-
- Heptafluorobutyric acid, dodecyl ester
- Dodecyl heptafluorobutanoate
- 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.
- I : 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 | 0.8174 | Relay (1.0) Calculated Property | |
| ΔfG° | -1505.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2088.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.283 | Crippen Calculated Property | |
| McVol | 256.130 | ml/mol | McGowan Calculated Property |
| Pc | 1136.73 | kPa | Joback Calculated Property |
| Inp | [1474.00; 1486.30] |
|
|
| Inp | 1480.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1486.30 | NIST | |
| Inp | 1486.30 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1474.00 | NIST | |
| I | [1505.00; 1505.00] |
|
|
| I | 1505.00 | NIST | |
| I | 1505.00 | NIST | |
| Tboil | 509.33 | K | Relay (1.0) Calculated Property |
| Tc | 622.02 | K | Relay (1.0) Calculated Property |
| Tfus | 246.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.979 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [738.76; 822.18] | J/mol×K | [626.97; 778.69] |
|
| Cp,gas | 738.76 | J/mol×K | 626.97 | Joback Calculated Property |
| Cp,gas | 754.53 | J/mol×K | 652.26 | Joback Calculated Property |
| Cp,gas | 769.51 | J/mol×K | 677.54 | Joback Calculated Property |
| Cp,gas | 783.73 | J/mol×K | 702.83 | Joback Calculated Property |
| Cp,gas | 797.22 | J/mol×K | 728.11 | Joback Calculated Property |
| Cp,gas | 810.03 | J/mol×K | 753.40 | Joback Calculated Property |
| Cp,gas | 822.18 | J/mol×K | 778.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Dodecanol, heptafluorobutyrate.
Sources
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