- InChI
- InChI=1S/C19H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-18(23)19(20,21)22/h2-17H2,1H3
- InChI Key
- CDOYOXVOYRQINU-UHFFFAOYSA-N
- Formula
- C19H35F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(F)(F)
F - Molecular Weight1
- 352.48
- Other Names
-
- Heptadecyl 2,2,2-trifluoroacetate
- 1-Heptadecanol, trifluoroacetate
- Trifluoroacetic acid, n-heptadecyl ester
- 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 | 0.9150 | Relay (1.0) Calculated Property | |
| ΔfG° | -706.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1327.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.963 | Crippen Calculated Property | |
| McVol | 291.320 | ml/mol | McGowan Calculated Property |
| Pc | 1032.57 | kPa | Joback Calculated Property |
| Inp | [1907.00; 1910.20] |
|
|
| Inp | 1907.00 | NIST | |
| Inp | 1910.20 | NIST | |
| Tboil | 565.02 | K | Relay (1.0) Calculated Property |
| Tc | 692.29 | K | Relay (1.0) Calculated Property |
| Tfus | 290.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.58; 970.55] | J/mol×K | [704.99; 868.50] |
|
| Cp,gas | 873.58 | J/mol×K | 704.99 | Joback Calculated Property |
| Cp,gas | 891.77 | J/mol×K | 732.24 | Joback Calculated Property |
| Cp,gas | 909.12 | J/mol×K | 759.49 | Joback Calculated Property |
| Cp,gas | 925.64 | J/mol×K | 786.74 | Joback Calculated Property |
| Cp,gas | 941.36 | J/mol×K | 813.99 | Joback Calculated Property |
| Cp,gas | 956.32 | J/mol×K | 841.24 | Joback Calculated Property |
| Cp,gas | 970.55 | J/mol×K | 868.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecyl trifluoroacetate.
Sources
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