- InChI
- InChI=1S/C19H26F3NO3/c1-2-3-4-5-6-7-14-26-17(24)12-13-23-18(25)15-8-10-16(11-9-15)19(20,21)22/h8-11H,2-7,12-14H2,1H3,(H,23,25)
- InChI Key
- CNTAVCPNKSHDDL-UHFFFAOYSA-N
- Formula
- C19H26F3NO3
- SMILES
-
CCCCCCCCOC(=O)CCNC(=O)c1ccc(C(
F)(F)F)cc1 - Molecular Weight1
- 373.41
- 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 | 0.9579 | Relay (1.0) Calculated Property | |
| ΔfG° | -643.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1282.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.729 | Crippen Calculated Property | |
| McVol | 279.110 | ml/mol | McGowan Calculated Property |
| Pc | 1351.64 | kPa | Joback Calculated Property |
| Inp | 2414.00 | NIST | |
| Tboil | 642.86 | K | Relay (1.0) Calculated Property |
| Tc | 844.37 | K | Relay (1.0) Calculated Property |
| Tfus | 355.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.026 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [872.16; 945.38] | J/mol×K | [840.69; 1036.30] | 
|
| Cp,gas | 872.16 | J/mol×K | 840.69 | Joback Calculated Property |
| Cp,gas | 886.65 | J/mol×K | 873.29 | Joback Calculated Property |
| Cp,gas | 900.16 | J/mol×K | 905.89 | Joback Calculated Property |
| Cp,gas | 912.73 | J/mol×K | 938.50 | Joback Calculated Property |
| Cp,gas | 924.43 | J/mol×K | 971.10 | Joback Calculated Property |
| Cp,gas | 935.29 | J/mol×K | 1003.70 | Joback Calculated Property |
| Cp,gas | 945.38 | J/mol×K | 1036.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, octyl ester.
Sources
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