- InChI
- InChI=1S/C9H15F3O2/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2-7H2,1H3
- InChI Key
- UYLWXQBGISCNKI-UHFFFAOYSA-N
- Formula
- C9H15F3O2
- SMILES
- CCCCCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 212.21
- CAS
- 2710-89-6
- Other Names
-
- Heptyl trifluoroacetate
- Acetic acid, trifluoro, heptyl 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.
- 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 | 0.5439 | Relay (1.0) Calculated Property | |
| ΔfG° | -790.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1120.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.062 | Crippen Calculated Property | |
| McVol | 150.420 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | [927.20; 971.80] |
|
|
| Inp | 927.20 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 971.80 | NIST | |
| Inp | 927.20 | NIST | |
| Inp | 968.00 | NIST | |
| I | [1070.00; 1073.00] |
|
|
| I | 1070.00 | NIST | |
| I | 1073.00 | NIST | |
| I | 1070.00 | NIST | |
| Tboil | 438.65 ± 1.50 | K | NIST |
| Tc | 554.01 | K | Relay (1.0) Calculated Property |
| Tfus | 219.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.37; 417.70] | J/mol×K | [476.19; 635.68] |
|
| Cp,gas | 350.37 | J/mol×K | 476.19 | Joback Calculated Property |
| Cp,gas | 362.87 | J/mol×K | 502.77 | Joback Calculated Property |
| Cp,gas | 374.85 | J/mol×K | 529.35 | Joback Calculated Property |
| Cp,gas | 386.30 | J/mol×K | 555.94 | Joback Calculated Property |
| Cp,gas | 397.25 | J/mol×K | 582.52 | Joback Calculated Property |
| Cp,gas | 407.71 | J/mol×K | 609.10 | Joback Calculated Property |
| Cp,gas | 417.70 | J/mol×K | 635.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid, heptyl ester.
Sources
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