- InChI
- InChI=1S/C15H9NO4/c17-15-13(9-11-3-1-2-4-14(11)20-15)10-5-7-12(8-6-10)16(18)19/h1-9H
- InChI Key
- GATDYELJYSMQPH-UHFFFAOYSA-N
- Formula
- C15H9NO4
- SMILES
-
O=c1oc2ccccc2cc1-c1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 267.24
- CAS
- 2555-25-1
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6967 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -47.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.368 | Crippen Calculated Property | |
| McVol | 184.390 | ml/mol | McGowan Calculated Property |
| Pc | 3004.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 690.20 | K | Relay (1.0) Calculated Property |
| Tc | 1004.29 | K | Relay (1.0) Calculated Property |
| Tfus | 451.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Coumarin, 3-(4-nitrophenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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