- InChI
- InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H
- InChI Key
- NXLNNXIXOYSCMB-UHFFFAOYSA-N
- Formula
- C7H4ClNO4
- SMILES
- O=C(Cl)Oc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 201.56
- CAS
- 7693-46-1
- Other Names
-
- Formic acid, chloro-, p-nitrophenyl ester
- p-Nitrophenoxycarbonyl chloride
- p-Nitrophenyl chlorocarbonate
- p-Nitrophenyl chloroformate
- Chloroformic acid p-nitrophenyl ester
- 4-Nitrophenyl chloroformate
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6141 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.332 | Crippen Calculated Property | |
| McVol | 122.830 | ml/mol | McGowan Calculated Property |
| Pc | 4146.27 | kPa | Joback Calculated Property |
| Tboil | 539.54 | K | Relay (1.0) Calculated Property |
| Tc | 775.12 | K | Relay (1.0) Calculated Property |
| Tfus | 354.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.80; 312.78] | J/mol×K | [656.78; 912.96] | 
|
| Cp,gas | 271.80 | J/mol×K | 656.78 | Joback Calculated Property |
| Cp,gas | 280.50 | J/mol×K | 699.48 | Joback Calculated Property |
| Cp,gas | 288.43 | J/mol×K | 742.17 | Joback Calculated Property |
| Cp,gas | 295.60 | J/mol×K | 784.87 | Joback Calculated Property |
| Cp,gas | 302.04 | J/mol×K | 827.56 | Joback Calculated Property |
| Cp,gas | 307.76 | J/mol×K | 870.26 | Joback Calculated Property |
| Cp,gas | 312.78 | J/mol×K | 912.96 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 433.70 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to Carbonochloridic acid, 4-nitrophenyl ester.
Sources
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