![3-(Butyl(2-[butyl(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]ethyl)amino)-2-benzofuran-1(3h)-one](/cid/91-494-3/3-Butyl-2-butyl-3-oxo-1-3-dihydro-2-benzofuran-1-yl-amino-ethyl-amino-2-benzofuran-1-3h-one.png "3-(Butyl(2-[butyl(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]ethyl)amino)-2-benzofuran-1(3h)-one")
- InChI
- InChI=1S/C26H32N2O4/c1-3-5-15-27(23-19-11-7-9-13-21(19)25(29)31-23)17-18-28(16-6-4-2)24-20-12-8-10-14-22(20)26(30)32-24/h7-14,23-24H,3-6,15-18H2,1-2H3
- InChI Key
- KWTXMBJOCBWQBY-UHFFFAOYSA-N
- Formula
- C26H32N2O4
- SMILES
-
CCCCN(CCN(CCCC)C1OC(=O)c2ccccc
21)C1OC(=O)c2ccccc21 - Molecular Weight1
- 436.54
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0008 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 342.800 | ml/mol | McGowan Calculated Property |
| Pc | 1299.53 | kPa | Joback Calculated Property |
| Tboil | 737.92 | K | Relay (1.0) Calculated Property |
| Tc | 1029.86 | K | Relay (1.0) Calculated Property |
| Tfus | 358.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.294 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1225.98; 1300.57] | J/mol×K | [1085.50; 1332.36] | 
|
| Cp,gas | 1225.98 | J/mol×K | 1085.50 | Joback Calculated Property |
| Cp,gas | 1240.96 | J/mol×K | 1126.64 | Joback Calculated Property |
| Cp,gas | 1254.74 | J/mol×K | 1167.79 | Joback Calculated Property |
| Cp,gas | 1267.45 | J/mol×K | 1208.93 | Joback Calculated Property |
| Cp,gas | 1279.23 | J/mol×K | 1250.08 | Joback Calculated Property |
| Cp,gas | 1290.23 | J/mol×K | 1291.22 | Joback Calculated Property |
| Cp,gas | 1300.57 | J/mol×K | 1332.36 | Joback Calculated Property |
Similar Compounds
Sources
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