- InChI
- InChI=1S/C12H13F10NO3/c13-9(14,11(17,18)19)7(24)23-5-3-1-2-4-6-26-8(25)10(15,16)12(20,21)22/h1-6H2,(H,23,24)
- InChI Key
- MVMRMDCCFHBSKH-UHFFFAOYSA-N
- Formula
- C12H13F10NO3
- SMILES
-
O=C(NCCCCCCOC(=O)C(F)(F)C(F)(F
)F)C(F)(F)C(F)(F)F - Molecular Weight1
- 409.22
- 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° | -2160.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2591.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.601 | Crippen Calculated Property | |
| McVol | 216.630 | ml/mol | McGowan Calculated Property |
| Pc | 1454.57 | kPa | Joback Calculated Property |
| Inp | 1357.00 | NIST | |
| Tboil | 634.07 | K | Joback Calculated Property |
| Tc | 787.74 | K | Joback Calculated Property |
| Tfus | 415.33 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.13; 695.70] | J/mol×K | [634.07; 787.74] | 
|
| Cp,gas | 636.13 | J/mol×K | 634.07 | Joback Calculated Property |
| Cp,gas | 647.77 | J/mol×K | 659.68 | Joback Calculated Property |
| Cp,gas | 658.67 | J/mol×K | 685.29 | Joback Calculated Property |
| Cp,gas | 668.87 | J/mol×K | 710.90 | Joback Calculated Property |
| Cp,gas | 678.41 | J/mol×K | 736.52 | Joback Calculated Property |
| Cp,gas | 687.34 | J/mol×K | 762.13 | Joback Calculated Property |
| Cp,gas | 695.70 | J/mol×K | 787.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Amino-1-hexanol, N,O-bis(pentafluoropropionyl)-.
Sources
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