- InChI
- InChI=1S/C18H24F3NO3/c1-3-4-5-6-7-12-25-16(23)13-22(2)17(24)14-8-10-15(11-9-14)18(19,20)21/h8-11H,3-7,12-13H2,1-2H3
- InChI Key
- JQJWZMZOGUYDAZ-UHFFFAOYSA-N
- Formula
- C18H24F3NO3
- SMILES
-
CCCCCCCOC(=O)CN(C)C(=O)c1ccc(C
(F)(F)F)cc1 - Molecular Weight1
- 359.38
- 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 | 0.8769 | Relay (1.0) Calculated Property | |
| ΔfG° | -630.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1219.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.291 | Crippen Calculated Property | |
| McVol | 265.020 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | 2188.00 | NIST | |
| Tboil | 625.10 | K | Relay (1.0) Calculated Property |
| Tc | 811.06 | K | Relay (1.0) Calculated Property |
| Tfus | 336.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.27; 874.15] | J/mol×K | [780.08; 969.64] | 
|
| Cp,gas | 798.27 | J/mol×K | 780.08 | Joback Calculated Property |
| Cp,gas | 813.15 | J/mol×K | 811.67 | Joback Calculated Property |
| Cp,gas | 827.07 | J/mol×K | 843.27 | Joback Calculated Property |
| Cp,gas | 840.08 | J/mol×K | 874.86 | Joback Calculated Property |
| Cp,gas | 852.23 | J/mol×K | 906.45 | Joback Calculated Property |
| Cp,gas | 863.57 | J/mol×K | 938.04 | Joback Calculated Property |
| Cp,gas | 874.15 | J/mol×K | 969.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptyl ester.
Sources
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