- InChI
- InChI=1S/C13H18F6N2O4/c1-2-3-7-25-9(22)8(21-11(24)13(17,18)19)5-4-6-20-10(23)12(14,15)16/h8H,2-7H2,1H3,(H,20,23)(H,21,24)/t8-/m1/s1
- InChI Key
- LMGYQYJQQMTKTR-MRVPVSSYSA-N
- Formula
- C13H18F6N2O4
- SMILES
-
CCCCOC(=O)C(CCCNC(=O)C(F)(F)F)
NC(=O)C(F)(F)F - Molecular Weight1
- 380.28
- CAS
- 2804-68-4
- Other Names
-
- Ornitine, butyl ester, N2,N5-bis-TFA
- Ornitine, butyl ester, TFA
- 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° | -1420.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1874.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 1.836 | Crippen Calculated Property | |
| McVol | 235.190 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Inp | [1690.00; 1690.00] |
|
|
| Inp | 1690.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Tboil | 769.93 | K | Joback Calculated Property |
| Tc | 948.10 | K | Joback Calculated Property |
| Tfus | 506.99 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.56; 782.34] | J/mol×K | [769.93; 948.10] |
|
| Cp,gas | 723.56 | J/mol×K | 769.93 | Joback Calculated Property |
| Cp,gas | 735.15 | J/mol×K | 799.63 | Joback Calculated Property |
| Cp,gas | 745.96 | J/mol×K | 829.32 | Joback Calculated Property |
| Cp,gas | 756.05 | J/mol×K | 859.02 | Joback Calculated Property |
| Cp,gas | 765.45 | J/mol×K | 888.71 | Joback Calculated Property |
| Cp,gas | 774.20 | J/mol×K | 918.41 | Joback Calculated Property |
| Cp,gas | 782.34 | J/mol×K | 948.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Ornithine, N2,N5-bis(trifluoroacetyl)-, butyl ester.
Sources
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