- InChI
- InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2
- InChI Key
- XIWRBQVYCZCEPG-UHFFFAOYSA-N
- Formula
- C14H19NO7
- SMILES
-
O=[N+]([O-])c1ccc2c(c1)OCCOCCO
CCOCCO2 - Molecular Weight1
- 313.30
- CAS
- 60835-69-0
- Other Names
-
- 17-Nitro-2,3-benzo-1,4,7,10,13-pentaoxacyclopentadecen-2
- 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 | 0.6972 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.416 | Crippen Calculated Property | |
| McVol | 220.270 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Tboil | 698.61 | K | Relay (1.0) Calculated Property |
| Tc | 952.33 | K | Relay (1.0) Calculated Property |
| Tfus | 371.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.47; 766.55] | J/mol×K | [897.06; 1183.31] | 
|
| Cp,gas | 724.47 | J/mol×K | 897.06 | Joback Calculated Property |
| Cp,gas | 738.77 | J/mol×K | 944.77 | Joback Calculated Property |
| Cp,gas | 750.17 | J/mol×K | 992.48 | Joback Calculated Property |
| Cp,gas | 758.63 | J/mol×K | 1040.18 | Joback Calculated Property |
| Cp,gas | 764.10 | J/mol×K | 1087.89 | Joback Calculated Property |
| Cp,gas | 766.55 | J/mol×K | 1135.60 | Joback Calculated Property |
| Cp,gas | 765.93 | J/mol×K | 1183.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Nitrobenzo-15-crown-5.
Sources
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