- InChI
- InChI=1S/C13H14F3NO3/c1-3-20-11(18)8-17(2)12(19)9-6-4-5-7-10(9)13(14,15)16/h4-7H,3,8H2,1-2H3
- InChI Key
- BOKQEZCVHJSBLW-UHFFFAOYSA-N
- Formula
- C13H14F3NO3
- SMILES
-
CCOC(=O)CN(C)C(=O)c1ccccc1C(F)
(F)F - Molecular Weight1
- 289.25
- 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 | 0.6524 | Relay (1.0) Calculated Property | |
| ΔfG° | -672.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1108.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.341 | Crippen Calculated Property | |
| McVol | 194.570 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | 1736.00 | NIST | |
| Tboil | 568.17 | K | Relay (1.0) Calculated Property |
| Tc | 758.79 | K | Relay (1.0) Calculated Property |
| Tfus | 321.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.95; 593.27] | J/mol×K | [665.68; 859.37] | 
|
| Cp,gas | 526.95 | J/mol×K | 665.68 | Joback Calculated Property |
| Cp,gas | 540.06 | J/mol×K | 697.96 | Joback Calculated Property |
| Cp,gas | 552.29 | J/mol×K | 730.24 | Joback Calculated Property |
| Cp,gas | 563.69 | J/mol×K | 762.52 | Joback Calculated Property |
| Cp,gas | 574.29 | J/mol×K | 794.80 | Joback Calculated Property |
| Cp,gas | 584.14 | J/mol×K | 827.09 | Joback Calculated Property |
| Cp,gas | 593.27 | J/mol×K | 859.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, ethyl ester.
Sources
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