- InChI
- InChI=1S/C17H22F3NO3/c1-12(2)7-6-10-24-15(22)11-21(3)16(23)13-8-4-5-9-14(13)17(18,19)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3
- InChI Key
- UNHCWNGVAXYQRG-UHFFFAOYSA-N
- Formula
- C17H22F3NO3
- SMILES
-
CC(C)CCCOC(=O)CN(C)C(=O)c1cccc
c1C(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° | -641.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1061.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.27 | Crippen Calculated Property | |
| logPoct/wat | 3.757 | Crippen Calculated Property | |
| McVol | 250.930 | ml/mol | McGowan Calculated Property |
| Pc | 1556.12 | kPa | Joback Calculated Property |
| Inp | 2088.00 | NIST | |
| Tboil | 756.76 | K | Joback Calculated Property |
| Tc | 948.31 | K | Joback Calculated Property |
| Tfus | 464.04 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.41; 817.31] | J/mol×K | [756.76; 948.31] | 
|
| Cp,gas | 742.41 | J/mol×K | 756.76 | Joback Calculated Property |
| Cp,gas | 757.15 | J/mol×K | 788.68 | Joback Calculated Property |
| Cp,gas | 770.93 | J/mol×K | 820.61 | Joback Calculated Property |
| Cp,gas | 783.79 | J/mol×K | 852.53 | Joback Calculated Property |
| Cp,gas | 795.77 | J/mol×K | 884.46 | Joback Calculated Property |
| Cp,gas | 806.93 | J/mol×K | 916.38 | Joback Calculated Property |
| Cp,gas | 817.31 | J/mol×K | 948.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, isohexyl ester.
Sources
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