- InChI
- InChI=1S/C27H46F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38-23(36)22(21(2)3)35-24(37)25(28,29)26(30,31)27(32,33)34/h21-22H,4-20H2,1-3H3,(H,35,37)
- InChI Key
- ZPMIUNZCRHHDPP-UHFFFAOYSA-N
- Formula
- C27H46F7NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=
O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 565.65
- 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° | -1457.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2314.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.65 | kJ/mol | Joback Calculated Property |
| log10WS | -10.11 | Crippen Calculated Property | |
| logPoct/wat | 8.765 | Crippen Calculated Property | |
| McVol | 422.670 | ml/mol | McGowan Calculated Property |
| Pc | 647.46 | kPa | Joback Calculated Property |
| Inp | 2636.00 | NIST | |
| Tboil | 981.81 | K | Joback Calculated Property |
| Tc | 1229.03 | K | Joback Calculated Property |
| Tfus | 550.19 | K | Joback Calculated Property |
| Vc | 1.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1490.72; 1605.12] | J/mol×K | [981.81; 1229.03] | 
|
| Cp,gas | 1490.72 | J/mol×K | 981.81 | Joback Calculated Property |
| Cp,gas | 1512.84 | J/mol×K | 1023.01 | Joback Calculated Property |
| Cp,gas | 1533.46 | J/mol×K | 1064.22 | Joback Calculated Property |
| Cp,gas | 1552.79 | J/mol×K | 1105.42 | Joback Calculated Property |
| Cp,gas | 1571.03 | J/mol×K | 1146.62 | Joback Calculated Property |
| Cp,gas | 1588.41 | J/mol×K | 1187.83 | Joback Calculated Property |
| Cp,gas | 1605.12 | J/mol×K | 1229.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-heptafluorobutyryl-, octadecyl ester.
Sources
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