- InChI
- InChI=1S/C16H21F2NO3/c1-4-5-8-22-16(21)14(10(2)3)19-15(20)11-6-7-12(17)13(18)9-11/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,19,20)
- InChI Key
- DOEKNQBACLLYIF-UHFFFAOYSA-N
- Formula
- C16H21F2NO3
- SMILES
-
CCCCOC(=O)C(NC(=O)c1ccc(F)c(F)
c1)C(C)C - Molecular Weight1
- 313.34
- 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 | 0.7587 | Relay (1.0) Calculated Property | |
| ΔfG° | -490.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -947.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.062 | Crippen Calculated Property | |
| McVol | 235.070 | ml/mol | McGowan Calculated Property |
| Pc | 1728.90 | kPa | Joback Calculated Property |
| Inp | [2029.00; 2029.00] |
|
|
| Inp | 2029.00 | NIST | |
| Inp | 2029.00 | NIST | |
| Tboil | 586.90 | K | Relay (1.0) Calculated Property |
| Tc | 803.09 | K | Relay (1.0) Calculated Property |
| Tfus | 338.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.837 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.37; 762.94] | J/mol×K | [780.11; 978.11] |
|
| Cp,gas | 692.37 | J/mol×K | 780.11 | Joback Calculated Property |
| Cp,gas | 706.41 | J/mol×K | 813.11 | Joback Calculated Property |
| Cp,gas | 719.51 | J/mol×K | 846.11 | Joback Calculated Property |
| Cp,gas | 731.70 | J/mol×K | 879.11 | Joback Calculated Property |
| Cp,gas | 742.98 | J/mol×K | 912.11 | Joback Calculated Property |
| Cp,gas | 753.39 | J/mol×K | 945.11 | Joback Calculated Property |
| Cp,gas | 762.94 | J/mol×K | 978.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, butyl ester.
Sources
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