- InChI
- InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
- InChI Key
- BOFRXDMCQRTGII-UHFFFAOYSA-N
- Formula
- C6H4ClNO3
- SMILES
- O=[N+]([O-])c1ccc(O)c(Cl)c1
- Molecular Weight1
- 173.55
- CAS
- 619-08-9
- Other Names
-
- Nitrofungin
- Nitrofurgin
- 2-Chloro-4-nitrophenol
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.6117 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 99.00 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | 76.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.954 | Crippen Calculated Property | |
| McVol | 107.170 | ml/mol | McGowan Calculated Property |
| Pc | 5454.60 | kPa | Joback Calculated Property |
| Tboil | 517.40 | K | Relay (1.0) Calculated Property |
| Tc | 830.76 | K | Relay (1.0) Calculated Property |
| Tfus | 385.00 ± 1.00 | K | NIST |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.17; 273.30] | J/mol×K | [638.23; 907.39] | 
|
| Cp,gas | 236.17 | J/mol×K | 638.23 | Joback Calculated Property |
| Cp,gas | 243.62 | J/mol×K | 683.09 | Joback Calculated Property |
| Cp,gas | 250.40 | J/mol×K | 727.95 | Joback Calculated Property |
| Cp,gas | 256.64 | J/mol×K | 772.81 | Joback Calculated Property |
| Cp,gas | 262.46 | J/mol×K | 817.67 | Joback Calculated Property |
| Cp,gas | 267.97 | J/mol×K | 862.53 | Joback Calculated Property |
| Cp,gas | 273.30 | J/mol×K | 907.39 | Joback Calculated Property |
| ΔfusH | 20.88 | kJ/mol | 380.70 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2-chloro-4-nitro-.
Sources
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