- InChI
- InChI=1S/C14H17F2NO3/c1-4-20-14(19)12(8(2)3)17-13(18)9-5-6-10(15)11(16)7-9/h5-8,12H,4H2,1-3H3,(H,17,18)
- InChI Key
- HAAYWBDNEBNSAI-UHFFFAOYSA-N
- Formula
- C14H17F2NO3
- SMILES
-
CCOC(=O)C(NC(=O)c1ccc(F)c(F)c1
)C(C)C - Molecular Weight1
- 285.29
- 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 | 0.6654 | Relay (1.0) Calculated Property | |
| ΔfG° | -507.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.282 | Crippen Calculated Property | |
| McVol | 206.890 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | [1841.00; 1841.00] |
|
|
| Inp | 1841.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Tboil | 568.40 | K | Relay (1.0) Calculated Property |
| Tc | 783.94 | K | Relay (1.0) Calculated Property |
| Tfus | 356.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.83; 650.04] | J/mol×K | [734.35; 934.70] |
|
| Cp,gas | 582.83 | J/mol×K | 734.35 | Joback Calculated Property |
| Cp,gas | 596.16 | J/mol×K | 767.74 | Joback Calculated Property |
| Cp,gas | 608.62 | J/mol×K | 801.13 | Joback Calculated Property |
| Cp,gas | 620.22 | J/mol×K | 834.52 | Joback Calculated Property |
| Cp,gas | 630.98 | J/mol×K | 867.92 | Joback Calculated Property |
| Cp,gas | 640.91 | J/mol×K | 901.31 | Joback Calculated Property |
| Cp,gas | 650.04 | J/mol×K | 934.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, ethyl ester.
Sources
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