- InChI
- InChI=1S/C15H11NO2/c1-10-5-4-8-12-11-6-2-3-7-13(11)15(16(17)18)9-14(10)12/h2-9H,1H3
- InChI Key
- FDXNCIJOOLPXJW-UHFFFAOYSA-N
- Formula
- C15H11NO2
- SMILES
-
Cc1cccc2c1cc([N+](=O)[O-])c1cc
ccc12 - Molecular Weight1
- 237.26
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6264 | Relay (1.0) Calculated Property | |
| ΔfG° | 407.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 159.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.210 | Crippen Calculated Property | |
| McVol | 176.950 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | [383.95; 384.47] |
|
|
| Inp | 384.47 | NIST | |
| Inp | 383.95 | NIST | |
| Inp | 384.47 | NIST | |
| Tboil | 677.76 | K | Relay (1.0) Calculated Property |
| Tc | 996.68 | K | Relay (1.0) Calculated Property |
| Tfus | 400.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.26; 530.21] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.91500e+01 | |||
| Coefficient B | 1.26338e+00 | |||
| Coefficient C | -9.74120e-04 | |||
| Coefficient D | 3.00100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 279.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 374.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 411.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 442.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 469.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 492.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 512.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 530.21 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-9-nitrophenanthrene.
Sources
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