- InChI
- InChI=1S/C23H35F2NO3/c1-4-5-6-7-8-9-10-11-12-15-29-23(28)21(17(2)3)26-22(27)18-13-14-19(24)20(25)16-18/h13-14,16-17,21H,4-12,15H2,1-3H3,(H,26,27)
- InChI Key
- ZYHIQULOSLFRJX-UHFFFAOYSA-N
- Formula
- C23H35F2NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C(NC(=O)c1ccc
(F)c(F)c1)C(C)C - Molecular Weight1
- 411.53
- 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 | 1.0321 | Relay (1.0) Calculated Property | |
| ΔfG° | -432.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1086.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.793 | Crippen Calculated Property | |
| McVol | 333.700 | ml/mol | McGowan Calculated Property |
| Pc | 1056.20 | kPa | Joback Calculated Property |
| Inp | [2715.00; 2715.00] |
|
|
| Inp | 2715.00 | NIST | |
| Inp | 2715.00 | NIST | |
| Tboil | 642.27 | K | Relay (1.0) Calculated Property |
| Tc | 867.63 | K | Relay (1.0) Calculated Property |
| Tfus | 354.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1103.41; 1181.57] | J/mol×K | [940.27; 1151.21] |
|
| Cp,gas | 1103.41 | J/mol×K | 940.27 | Joback Calculated Property |
| Cp,gas | 1119.49 | J/mol×K | 975.43 | Joback Calculated Property |
| Cp,gas | 1134.28 | J/mol×K | 1010.58 | Joback Calculated Property |
| Cp,gas | 1147.84 | J/mol×K | 1045.74 | Joback Calculated Property |
| Cp,gas | 1160.21 | J/mol×K | 1080.90 | Joback Calculated Property |
| Cp,gas | 1171.44 | J/mol×K | 1116.05 | Joback Calculated Property |
| Cp,gas | 1181.57 | J/mol×K | 1151.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, undecyl ester.
Sources
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