- InChI
- InChI=1S/C17H22F3NO3/c1-3-4-5-8-11-24-15(22)12-21(2)16(23)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10H,3-5,8,11-12H2,1-2H3
- InChI Key
- DTKZQPOJZYYLDL-UHFFFAOYSA-N
- Formula
- C17H22F3NO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1ccccc1
C(F)(F)F - Molecular Weight1
- 345.36
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -638.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1056.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 250.930 | ml/mol | McGowan Calculated Property |
| Pc | 1546.35 | kPa | Joback Calculated Property |
| Inp | 2136.00 | NIST | |
| Tboil | 757.20 | K | Joback Calculated Property |
| Tc | 946.55 | K | Joback Calculated Property |
| Tfus | 479.04 | K | Joback Calculated Property |
| Vc | 0.971 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.87; 816.13] | J/mol×K | [757.20; 946.55] | 
|
| Cp,gas | 741.87 | J/mol×K | 757.20 | Joback Calculated Property |
| Cp,gas | 756.44 | J/mol×K | 788.76 | Joback Calculated Property |
| Cp,gas | 770.07 | J/mol×K | 820.32 | Joback Calculated Property |
| Cp,gas | 782.80 | J/mol×K | 851.87 | Joback Calculated Property |
| Cp,gas | 794.70 | J/mol×K | 883.43 | Joback Calculated Property |
| Cp,gas | 805.79 | J/mol×K | 914.99 | Joback Calculated Property |
| Cp,gas | 816.13 | J/mol×K | 946.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, hexyl ester.
Sources
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