- InChI
- InChI=1S/C10H16F3NO3/c1-4-5-7(8(15)17-6(2)3)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)
- InChI Key
- DRNUDDOESVDZJT-UHFFFAOYSA-N
- Formula
- C10H16F3NO3
- SMILES
-
CCCC(NC(=O)C(F)(F)F)C(=O)OC(C)
C - Molecular Weight1
- 255.23
- Other Names
-
- norvaline, trifluoroacetyl-isopropyl ester
- 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° | -826.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1161.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 1.785 | Crippen Calculated Property | |
| McVol | 176.060 | ml/mol | McGowan Calculated Property |
| Pc | 2151.31 | kPa | Joback Calculated Property |
| Inp | [1100.00; 1190.00] |
|
|
| Inp | 1100.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Tboil | 602.23 | K | Joback Calculated Property |
| Tc | 778.24 | K | Joback Calculated Property |
| Tfus | 351.40 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.11; 537.15] | J/mol×K | [602.23; 778.24] |
|
| Cp,gas | 470.11 | J/mol×K | 602.23 | Joback Calculated Property |
| Cp,gas | 482.91 | J/mol×K | 631.57 | Joback Calculated Property |
| Cp,gas | 495.04 | J/mol×K | 660.90 | Joback Calculated Property |
| Cp,gas | 506.51 | J/mol×K | 690.24 | Joback Calculated Property |
| Cp,gas | 517.34 | J/mol×K | 719.57 | Joback Calculated Property |
| Cp,gas | 527.54 | J/mol×K | 748.91 | Joback Calculated Property |
| Cp,gas | 537.15 | J/mol×K | 778.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Norvaline, N-trifluoroacetyl, 1-methylethyl ester.
Sources
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