- InChI
- InChI=1S/C19H16F21N3O3/c20-11(21,14(26,27)17(32,33)34)8(44)41-4-1-2-6-43(10(46)13(24,25)16(30,31)19(38,39)40)7-3-5-42-9(45)12(22,23)15(28,29)18(35,36)37/h1-7H2,(H,41,44)(H,42,45)
- InChI Key
- BYXPCHIXXIWEJU-UHFFFAOYSA-N
- Formula
- C19H16F21N3O3
- SMILES
-
O=C(NCCCCN(CCCNC(=O)C(F)(F)C(F
)(F)C(F)(F)F)C(=O)C(F)(F)C(F)( F)C(F)(F)F)C(F)(F)C(F)(F)C(F)( F)F - Molecular Weight1
- 733.32
- 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° | -4053.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4795.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.22 | kJ/mol | Joback Calculated Property |
| log10WS | -7.92 | Crippen Calculated Property | |
| logPoct/wat | 5.716 | Crippen Calculated Property | |
| McVol | 350.390 | ml/mol | McGowan Calculated Property |
| Pc | 770.32 | kPa | Joback Calculated Property |
| Inp | 1900.70 | NIST | |
| Tboil | 864.11 | K | Joback Calculated Property |
| Tc | 1081.37 | K | Joback Calculated Property |
| Tfus | 625.64 | K | Joback Calculated Property |
| Vc | 1.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1195.66; 1265.38] | J/mol×K | [864.11; 1081.37] | 
|
| Cp,gas | 1195.66 | J/mol×K | 864.11 | Joback Calculated Property |
| Cp,gas | 1208.45 | J/mol×K | 900.32 | Joback Calculated Property |
| Cp,gas | 1220.38 | J/mol×K | 936.53 | Joback Calculated Property |
| Cp,gas | 1231.75 | J/mol×K | 972.74 | Joback Calculated Property |
| Cp,gas | 1242.85 | J/mol×K | 1008.95 | Joback Calculated Property |
| Cp,gas | 1253.96 | J/mol×K | 1045.16 | Joback Calculated Property |
| Cp,gas | 1265.38 | J/mol×K | 1081.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Spermidine, N,N',N''-tris(heptafluorobutyryl)-.
Sources
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