- InChI
- InChI=1S/C30H39F4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-35(29(36)25-18-16-23(31)21-27(25)33)30(37)26-19-17-24(32)22-28(26)34/h16-19,21-22H,2-15,20H2,1H3
- InChI Key
- MUAUACLLPSUIJM-UHFFFAOYSA-N
- Formula
- C30H39F4NO2
- SMILES
-
CCCCCCCCCCCCCCCCN(C(=O)c1ccc(F
)cc1F)C(=O)c1ccc(F)cc1F - Molecular Weight1
- 521.63
- 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° | -538.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1177.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.84 | kJ/mol | Joback Calculated Property |
| log10WS | -11.19 | Crippen Calculated Property | |
| logPoct/wat | 9.007 | Crippen Calculated Property | |
| McVol | 406.240 | ml/mol | McGowan Calculated Property |
| Pc | 792.60 | kPa | Joback Calculated Property |
| Inp | [3230.00; 3230.00] |
|
|
| Inp | 3230.00 | NIST | |
| Inp | 3230.00 | NIST | |
| Tboil | 1076.34 | K | Joback Calculated Property |
| Tc | 1330.18 | K | Joback Calculated Property |
| Tfus | 665.47 | K | Joback Calculated Property |
| Vc | 1.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1397.71; 1483.21] | J/mol×K | [1076.34; 1330.18] |
|
| Cp,gas | 1397.71 | J/mol×K | 1076.34 | Joback Calculated Property |
| Cp,gas | 1415.08 | J/mol×K | 1118.65 | Joback Calculated Property |
| Cp,gas | 1430.99 | J/mol×K | 1160.95 | Joback Calculated Property |
| Cp,gas | 1445.61 | J/mol×K | 1203.26 | Joback Calculated Property |
| Cp,gas | 1459.08 | J/mol×K | 1245.57 | Joback Calculated Property |
| Cp,gas | 1471.57 | J/mol×K | 1287.87 | Joback Calculated Property |
| Cp,gas | 1483.21 | J/mol×K | 1330.18 | Joback Calculated Property |
Similar Compounds
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Sources
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