- InChI
- InChI=1S/C18H18N2O7/c1-4-25-17-12-6-5-7-15(16(12)27-18(17,2)3)26-14-9-8-11(19(21)22)10-13(14)20(23)24/h5-10,17H,4H2,1-3H3
- InChI Key
- NQDMYVDQNBMUIS-UHFFFAOYSA-N
- Formula
- C18H18N2O7
- SMILES
-
CCOC1c2cccc(Oc3ccc([N+](=O)[O-
])cc3[N+](=O)[O-])c2OC1(C)C - Molecular Weight1
- 374.34
- CAS
- 62059-46-5
- 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 | 0.9098 | Relay (... Calculated Property | |
| ΔfG° | 109.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.32 | eV | Relay (... Calculated Property |
| log10WS | -4.77 | Relay (... Calculated Property | |
| logPoct/wat | 4.544 | Crippen Calculated Property | |
| McVol | 258.550 | ml/mol | McGowan Calculated Property |
| Pc | 2027.23 | kPa | Joback Calculated Property |
| Tboil | 658.63 | K | Relay (... Calculated Property |
| Tc | 1016.86 | K | Relay (... Calculated Property |
| Tfus | 370.84 | K | Relay (... Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.50; 987.63] | J/mol×K | [1062.30; 1332.11] | 
|
| Cp,gas | 866.50 | J/mol×K | 1062.30 | Joback Calculated Property |
| Cp,gas | 884.77 | J/mol×K | 1107.27 | Joback Calculated Property |
| Cp,gas | 903.48 | J/mol×K | 1152.24 | Joback Calculated Property |
| Cp,gas | 922.88 | J/mol×K | 1197.20 | Joback Calculated Property |
| Cp,gas | 943.21 | J/mol×K | 1242.17 | Joback Calculated Property |
| Cp,gas | 964.71 | J/mol×K | 1287.14 | Joback Calculated Property |
| Cp,gas | 987.63 | J/mol×K | 1332.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzofuran, 7-(2,4-dinitrophenoxy)-3-ethoxy-2,3-dihydro-2,2-dimethyl-.
Sources
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