- InChI
- InChI=1S/C25H9F28NO7/c1-54(10(55)14(26,27)18(34,35)22(42,43)44)5-9(61-13(58)17(32,33)21(40,41)25(51,52)53)6-2-3-7(59-11(56)15(28,29)19(36,37)23(45,46)47)8(4-6)60-12(57)16(30,31)20(38,39)24(48,49)50/h2-4,9H,5H2,1H3
- InChI Key
- ZHEKJTDOISUKEC-UHFFFAOYSA-N
- Formula
- C25H9F28NO7
- SMILES
-
CN(CC(OC(=O)C(F)(F)C(F)(F)C(F)
(F)F)c1ccc(OC(=O)C(F)(F)C(F)(F )C(F)(F)F)c(OC(=O)C(F)(F)C(F)( F)C(F)(F)F)c1)C(=O)C(F)(F)C(F) (F)C(F)(F)F - Molecular Weight1
- 967.30
- 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° | -5890.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6726.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.28 | kJ/mol | Joback Calculated Property |
| log10WS | -11.17 | Crippen Calculated Property | |
| logPoct/wat | 8.872 | Crippen Calculated Property | |
| McVol | 422.780 | ml/mol | McGowan Calculated Property |
| Pc | 582.88 | kPa | Joback Calculated Property |
| Inp | [1618.00; 1618.00] |
|
|
| Inp | 1618.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Tboil | 1043.58 | K | Joback Calculated Property |
| Tc | 1378.88 | K | Joback Calculated Property |
| Tfus | 752.41 | K | Joback Calculated Property |
| Vc | 1.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1462.26; 1601.08] | J/mol×K | [1043.58; 1378.88] |
|
| Cp,gas | 1462.26 | J/mol×K | 1043.58 | Joback Calculated Property |
| Cp,gas | 1477.98 | J/mol×K | 1099.46 | Joback Calculated Property |
| Cp,gas | 1495.10 | J/mol×K | 1155.35 | Joback Calculated Property |
| Cp,gas | 1514.81 | J/mol×K | 1211.23 | Joback Calculated Property |
| Cp,gas | 1538.26 | J/mol×K | 1267.12 | Joback Calculated Property |
| Cp,gas | 1566.62 | J/mol×K | 1323.00 | Joback Calculated Property |
| Cp,gas | 1601.08 | J/mol×K | 1378.88 | Joback Calculated Property |
Similar Compounds
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Sources
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