- InChI
- InChI=1S/C21H28F5NO3/c1-4-5-6-7-8-9-10-11-30-21(29)19(12(2)3)27-20(28)13-14(22)16(24)18(26)17(25)15(13)23/h12,19H,4-11H2,1-3H3,(H,27,28)
- InChI Key
- RMXWJBJYVSEFRG-UHFFFAOYSA-N
- Formula
- C21H28F5NO3
- SMILES
-
CCCCCCCCCOC(=O)C(NC(=O)c1c(F)c
(F)c(F)c(F)c1F)C(C)C - Molecular Weight1
- 437.44
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1062.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1592.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.40 | kJ/mol | Joback Calculated Property |
| log10WS | -7.65 | Crippen Calculated Property | |
| logPoct/wat | 5.430 | Crippen Calculated Property | |
| McVol | 310.830 | ml/mol | McGowan Calculated Property |
| Pc | 1064.48 | kPa | Joback Calculated Property |
| Inp | [2391.00; 2391.00] |
|
|
| Inp | 2391.00 | NIST | |
| Inp | 2391.00 | NIST | |
| Tboil | 907.26 | K | Joback Calculated Property |
| Tc | 1110.82 | K | Joback Calculated Property |
| Tfus | 563.15 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1001.48; 1072.53] | J/mol×K | [907.26; 1110.82] |
|
| Cp,gas | 1001.48 | J/mol×K | 907.26 | Joback Calculated Property |
| Cp,gas | 1016.16 | J/mol×K | 941.19 | Joback Calculated Property |
| Cp,gas | 1029.68 | J/mol×K | 975.11 | Joback Calculated Property |
| Cp,gas | 1042.05 | J/mol×K | 1009.04 | Joback Calculated Property |
| Cp,gas | 1053.30 | J/mol×K | 1042.96 | Joback Calculated Property |
| Cp,gas | 1063.45 | J/mol×K | 1076.89 | Joback Calculated Property |
| Cp,gas | 1072.53 | J/mol×K | 1110.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, nonyl ester.
Sources
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