- InChI
- InChI=1S/C21H31F2NO3/c1-4-5-6-7-8-9-10-13-27-21(26)19(15(2)3)24-20(25)16-11-12-17(22)18(23)14-16/h11-12,14-15,19H,4-10,13H2,1-3H3,(H,24,25)
- InChI Key
- NMLIITUQKDBZTP-UHFFFAOYSA-N
- Formula
- C21H31F2NO3
- SMILES
-
CCCCCCCCCOC(=O)C(NC(=O)c1ccc(F
)c(F)c1)C(C)C - Molecular Weight1
- 383.47
- 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 | 0.9576 | Relay (1.0) Calculated Property | |
| ΔfG° | -448.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1044.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.013 | Crippen Calculated Property | |
| McVol | 305.520 | ml/mol | McGowan Calculated Property |
| Pc | 1201.46 | kPa | Joback Calculated Property |
| Inp | [2512.00; 2512.00] |
|
|
| Inp | 2512.00 | NIST | |
| Inp | 2512.00 | NIST | |
| Tboil | 627.85 | K | Relay (1.0) Calculated Property |
| Tc | 851.69 | K | Relay (1.0) Calculated Property |
| Tfus | 351.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.107 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [982.37; 1058.60] | J/mol×K | [894.51; 1097.76] |
|
| Cp,gas | 982.37 | J/mol×K | 894.51 | Joback Calculated Property |
| Cp,gas | 997.83 | J/mol×K | 928.38 | Joback Calculated Property |
| Cp,gas | 1012.15 | J/mol×K | 962.26 | Joback Calculated Property |
| Cp,gas | 1025.34 | J/mol×K | 996.13 | Joback Calculated Property |
| Cp,gas | 1037.46 | J/mol×K | 1030.01 | Joback Calculated Property |
| Cp,gas | 1048.53 | J/mol×K | 1063.88 | Joback Calculated Property |
| Cp,gas | 1058.60 | J/mol×K | 1097.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, nonyl ester.
Sources
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