- InChI
- InChI=1S/C18H25F2NO3/c1-4-5-6-7-10-24-18(23)16(12(2)3)21-17(22)13-8-9-14(19)15(20)11-13/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,22)
- InChI Key
- BGFSWVAPVWARIS-UHFFFAOYSA-N
- Formula
- C18H25F2NO3
- SMILES
-
CCCCCCOC(=O)C(NC(=O)c1ccc(F)c(
F)c1)C(C)C - Molecular Weight1
- 341.39
- 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 | 0.8385 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -985.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.843 | Crippen Calculated Property | |
| McVol | 263.250 | ml/mol | McGowan Calculated Property |
| Pc | 1482.71 | kPa | Joback Calculated Property |
| Inp | [2210.00; 2210.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Tboil | 604.35 | K | Relay (1.0) Calculated Property |
| Tc | 824.89 | K | Relay (1.0) Calculated Property |
| Tfus | 345.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.88; 879.03] | J/mol×K | [825.87; 1023.86] |
|
| Cp,gas | 805.88 | J/mol×K | 825.87 | Joback Calculated Property |
| Cp,gas | 820.52 | J/mol×K | 858.87 | Joback Calculated Property |
| Cp,gas | 834.14 | J/mol×K | 891.87 | Joback Calculated Property |
| Cp,gas | 846.78 | J/mol×K | 924.86 | Joback Calculated Property |
| Cp,gas | 858.45 | J/mol×K | 957.86 | Joback Calculated Property |
| Cp,gas | 869.19 | J/mol×K | 990.86 | Joback Calculated Property |
| Cp,gas | 879.03 | J/mol×K | 1023.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester.
Sources
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