- InChI
- InChI=1S/C16H21F2NO3/c1-3-4-5-6-10-22-14(20)11-19(2)16(21)15-12(17)8-7-9-13(15)18/h7-9H,3-6,10-11H2,1-2H3
- InChI Key
- SRHPYGIFPZVALH-UHFFFAOYSA-N
- Formula
- C16H21F2NO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1c(F)cc
cc1F - Molecular Weight1
- 313.34
- 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 | 0.8201 | Relay (1.0) Calculated Property | |
| ΔfG° | -464.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.160 | Crippen Calculated Property | |
| McVol | 235.070 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | 2200.00 | NIST | |
| Tboil | 600.12 | K | Relay (1.0) Calculated Property |
| Tc | 806.62 | K | Relay (1.0) Calculated Property |
| Tfus | 312.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.73; 749.49] | J/mol×K | [743.26; 932.82] | 
|
| Cp,gas | 675.73 | J/mol×K | 743.26 | Joback Calculated Property |
| Cp,gas | 690.12 | J/mol×K | 774.85 | Joback Calculated Property |
| Cp,gas | 703.64 | J/mol×K | 806.45 | Joback Calculated Property |
| Cp,gas | 716.32 | J/mol×K | 838.04 | Joback Calculated Property |
| Cp,gas | 728.17 | J/mol×K | 869.64 | Joback Calculated Property |
| Cp,gas | 739.22 | J/mol×K | 901.23 | Joback Calculated Property |
| Cp,gas | 749.49 | J/mol×K | 932.82 | Joback Calculated Property |
Similar Compounds
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Sources
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