- InChI
- InChI=1S/C8H6ClNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2
- InChI Key
- LBHUVZXFCGZYDL-UHFFFAOYSA-N
- Formula
- C8H6ClNO3
- SMILES
- O=C(CCl)c1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 199.59
- CAS
- 99-47-8
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5922 | Relay (... Calculated Property | |
| ΔfG° | 13.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.30 | kJ/mol | Relay (... Calculated Property |
| IE | 10.08 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.016 | Crippen Calculated Property | |
| McVol | 131.050 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Tboil | 562.68 | K | Relay (... Calculated Property |
| Tc | 841.18 | K | Relay (... Calculated Property |
| Tfus | 363.51 | K | Relay (... Calculated Property |
| Vc | 0.452 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.96; 343.56] | J/mol×K | [657.24; 911.94] | 
|
| Cp,gas | 296.96 | J/mol×K | 657.24 | Joback Calculated Property |
| Cp,gas | 306.70 | J/mol×K | 699.69 | Joback Calculated Property |
| Cp,gas | 315.58 | J/mol×K | 742.14 | Joback Calculated Property |
| Cp,gas | 323.66 | J/mol×K | 784.59 | Joback Calculated Property |
| Cp,gas | 330.99 | J/mol×K | 827.04 | Joback Calculated Property |
| Cp,gas | 337.61 | J/mol×K | 869.49 | Joback Calculated Property |
| Cp,gas | 343.56 | J/mol×K | 911.94 | Joback Calculated Property |
| ΔsubH | 109.10 | kJ/mol | 321.00 | NIST |
Similar Compounds
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Sources
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