- InChI
- InChI=1S/C21H32FNO3/c1-3-4-5-6-7-8-9-10-11-15-26-20(24)17-23(2)21(25)18-13-12-14-19(22)16-18/h12-14,16H,3-11,15,17H2,1-2H3
- InChI Key
- BBEHMWKVTPZKCO-UHFFFAOYSA-N
- Formula
- C21H32FNO3
- SMILES
-
CCCCCCCCCCCOC(=O)CN(C)C(=O)c1c
ccc(F)c1 - Molecular Weight1
- 365.48
- 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 | 0.9979 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.972 | Crippen Calculated Property | |
| McVol | 303.750 | ml/mol | McGowan Calculated Property |
| Pc | 1225.98 | kPa | Joback Calculated Property |
| Inp | 2668.00 | NIST | |
| Tboil | 649.86 | K | Relay (1.0) Calculated Property |
| Tc | 853.84 | K | Relay (1.0) Calculated Property |
| Tfus | 304.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.137 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.32; 1040.71] | J/mol×K | [853.41; 1050.11] | 
|
| Cp,gas | 957.32 | J/mol×K | 853.41 | Joback Calculated Property |
| Cp,gas | 973.79 | J/mol×K | 886.19 | Joback Calculated Property |
| Cp,gas | 989.18 | J/mol×K | 918.98 | Joback Calculated Property |
| Cp,gas | 1003.52 | J/mol×K | 951.76 | Joback Calculated Property |
| Cp,gas | 1016.86 | J/mol×K | 984.54 | Joback Calculated Property |
| Cp,gas | 1029.24 | J/mol×K | 1017.33 | Joback Calculated Property |
| Cp,gas | 1040.71 | J/mol×K | 1050.11 | Joback Calculated Property |
Similar Compounds
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Sources
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