- InChI
- InChI=1S/C22H32F3NO3/c1-3-4-5-6-7-8-9-10-13-16-29-20(27)17-26(2)21(28)18-14-11-12-15-19(18)22(23,24)25/h11-12,14-15H,3-10,13,16-17H2,1-2H3
- InChI Key
- LQYLEUYXNCTMBH-UHFFFAOYSA-N
- Formula
- C22H32F3NO3
- SMILES
-
CCCCCCCCCCCOC(=O)CN(C)C(=O)c1c
cccc1C(F)(F)F - Molecular Weight1
- 415.49
- 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 | 1.0249 | Relay (1.0) Calculated Property | |
| ΔfG° | -596.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1289.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.851 | Crippen Calculated Property | |
| McVol | 321.380 | ml/mol | McGowan Calculated Property |
| Pc | 1094.27 | kPa | Joback Calculated Property |
| Inp | 2639.00 | NIST | |
| Tboil | 653.77 | K | Relay (1.0) Calculated Property |
| Tc | 847.58 | K | Relay (1.0) Calculated Property |
| Tfus | 321.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.199 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.56; 1114.97] | J/mol×K | [871.60; 1068.71] | 
|
| Cp,gas | 1032.56 | J/mol×K | 871.60 | Joback Calculated Property |
| Cp,gas | 1048.76 | J/mol×K | 904.45 | Joback Calculated Property |
| Cp,gas | 1063.88 | J/mol×K | 937.30 | Joback Calculated Property |
| Cp,gas | 1078.00 | J/mol×K | 970.16 | Joback Calculated Property |
| Cp,gas | 1091.18 | J/mol×K | 1003.01 | Joback Calculated Property |
| Cp,gas | 1103.48 | J/mol×K | 1035.86 | Joback Calculated Property |
| Cp,gas | 1114.97 | J/mol×K | 1068.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, undecyl ester.
Sources
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