- InChI
- InChI=1S/C12H16F6N2O4/c1-6(2)24-8(21)7(20-10(23)12(16,17)18)4-3-5-19-9(22)11(13,14)15/h6-7H,3-5H2,1-2H3,(H,19,22)(H,20,23)
- InChI Key
- ISCJAKJOJMTBMT-UHFFFAOYSA-N
- Formula
- C12H16F6N2O4
- SMILES
-
CC(C)OC(=O)C(CCCNC(=O)C(F)(F)F
)NC(=O)C(F)(F)F - Molecular Weight1
- 366.26
- 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 | 0.7167 | Relay (1.0) Calculated Property | |
| ΔfG° | -1430.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2066.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.444 | Crippen Calculated Property | |
| McVol | 221.100 | ml/mol | McGowan Calculated Property |
| Pc | 1753.60 | kPa | Joback Calculated Property |
| Inp | 1603.00 | NIST | |
| Tboil | 504.41 | K | Relay (1.0) Calculated Property |
| Tc | 705.69 | K | Relay (1.0) Calculated Property |
| Tfus | 365.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.808 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.00; 726.70] | J/mol×K | [746.61; 924.27] | 
|
| Cp,gas | 670.00 | J/mol×K | 746.61 | Joback Calculated Property |
| Cp,gas | 681.21 | J/mol×K | 776.22 | Joback Calculated Property |
| Cp,gas | 691.67 | J/mol×K | 805.83 | Joback Calculated Property |
| Cp,gas | 701.41 | J/mol×K | 835.44 | Joback Calculated Property |
| Cp,gas | 710.47 | J/mol×K | 865.05 | Joback Calculated Property |
| Cp,gas | 718.88 | J/mol×K | 894.66 | Joback Calculated Property |
| Cp,gas | 726.70 | J/mol×K | 924.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ornithine, trifluoroacetyl-isopropyl ester.
Sources
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