- InChI
- InChI=1S/C21H30F3NO3/c1-3-4-5-6-7-8-9-12-15-28-19(26)16-25(2)20(27)17-13-10-11-14-18(17)21(22,23)24/h10-11,13-14H,3-9,12,15-16H2,1-2H3
- InChI Key
- VDLGWOCKHJDOOP-UHFFFAOYSA-N
- Formula
- C21H30F3NO3
- SMILES
-
CCCCCCCCCCOC(=O)CN(C)C(=O)c1cc
ccc1C(F)(F)F - Molecular Weight1
- 401.46
- 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 | 0.9876 | Relay (1.0) Calculated Property | |
| ΔfG° | -604.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1269.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.461 | Crippen Calculated Property | |
| McVol | 307.290 | ml/mol | McGowan Calculated Property |
| Pc | 1167.22 | kPa | Joback Calculated Property |
| Inp | 2536.00 | NIST | |
| Tboil | 646.00 | K | Relay (1.0) Calculated Property |
| Tc | 839.04 | K | Relay (1.0) Calculated Property |
| Tfus | 319.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.145 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [972.80; 1053.48] | J/mol×K | [848.72; 1042.82] | 
|
| Cp,gas | 972.80 | J/mol×K | 848.72 | Joback Calculated Property |
| Cp,gas | 988.64 | J/mol×K | 881.07 | Joback Calculated Property |
| Cp,gas | 1003.44 | J/mol×K | 913.42 | Joback Calculated Property |
| Cp,gas | 1017.27 | J/mol×K | 945.77 | Joback Calculated Property |
| Cp,gas | 1030.18 | J/mol×K | 978.12 | Joback Calculated Property |
| Cp,gas | 1042.23 | J/mol×K | 1010.47 | Joback Calculated Property |
| Cp,gas | 1053.48 | J/mol×K | 1042.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, decyl ester.
Sources
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