- InChI
- InChI=1S/C16H20F3NO3/c1-3-4-5-10-23-14(21)11-20(2)15(22)12-6-8-13(9-7-12)16(17,18)19/h6-9H,3-5,10-11H2,1-2H3
- InChI Key
- FRMWCESCCWPBDZ-UHFFFAOYSA-N
- Formula
- C16H20F3NO3
- SMILES
-
CCCCCOC(=O)CN(C)C(=O)c1ccc(C(F
)(F)F)cc1 - Molecular Weight1
- 331.33
- 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° | -647.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1035.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.511 | Crippen Calculated Property | |
| McVol | 236.840 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | 2000.00 | NIST | |
| Tboil | 734.32 | K | Joback Calculated Property |
| Tc | 924.03 | K | Joback Calculated Property |
| Tfus | 467.77 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.47; 759.01] | J/mol×K | [734.32; 924.03] | 
|
| Cp,gas | 686.47 | J/mol×K | 734.32 | Joback Calculated Property |
| Cp,gas | 700.71 | J/mol×K | 765.94 | Joback Calculated Property |
| Cp,gas | 714.04 | J/mol×K | 797.56 | Joback Calculated Property |
| Cp,gas | 726.48 | J/mol×K | 829.17 | Joback Calculated Property |
| Cp,gas | 738.10 | J/mol×K | 860.79 | Joback Calculated Property |
| Cp,gas | 748.93 | J/mol×K | 892.41 | Joback Calculated Property |
| Cp,gas | 759.01 | J/mol×K | 924.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, pentyl ester.
Sources
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