- InChI
- InChI=1S/C15H18F3NO3/c1-3-4-9-22-13(20)10-19(2)14(21)11-5-7-12(8-6-11)15(16,17)18/h5-8H,3-4,9-10H2,1-2H3
- InChI Key
- CDDHFWRUHGHOSZ-UHFFFAOYSA-N
- Formula
- C15H18F3NO3
- SMILES
-
CCCCOC(=O)CN(C)C(=O)c1ccc(C(F)
(F)F)cc1 - Molecular Weight1
- 317.30
- 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 | 0.7528 | Relay (1.0) Calculated Property | |
| ΔfG° | -655.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1159.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.121 | Crippen Calculated Property | |
| McVol | 222.750 | ml/mol | McGowan Calculated Property |
| Pc | 1809.23 | kPa | Joback Calculated Property |
| Inp | 1909.00 | NIST | |
| Tboil | 594.48 | K | Relay (1.0) Calculated Property |
| Tc | 777.29 | K | Relay (1.0) Calculated Property |
| Tfus | 333.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.821 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.13; 702.82] | J/mol×K | [711.44; 902.02] | 
|
| Cp,gas | 632.13 | J/mol×K | 711.44 | Joback Calculated Property |
| Cp,gas | 646.03 | J/mol×K | 743.20 | Joback Calculated Property |
| Cp,gas | 659.03 | J/mol×K | 774.97 | Joback Calculated Property |
| Cp,gas | 671.16 | J/mol×K | 806.73 | Joback Calculated Property |
| Cp,gas | 682.48 | J/mol×K | 838.49 | Joback Calculated Property |
| Cp,gas | 693.01 | J/mol×K | 870.26 | Joback Calculated Property |
| Cp,gas | 702.82 | J/mol×K | 902.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, butyl ester.
Sources
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