- InChI
- InChI=1S/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
- InChI Key
- MHSGOABISYIYKP-UHFFFAOYSA-N
- Formula
- C8H6ClNO4
- SMILES
-
O=C(Cl)OCc1ccc([N+](=O)[O-])cc
1 - Molecular Weight1
- 215.59
- CAS
- 4457-32-3
- Other Names
-
- Formic acid, chloro-, p-nitrobenzyl ester
- p-Nitrobenzyl chloroformate
- 4-Nitrobenzyl chloroformate
- p-Nitrobenzyloxycarbonyl chloride
- 4-Nitrobenzyloxycarbonyl chloride
- p-Nitrocarbobenzoxy chloride
- Chloroformic acid p-nitrobenzyl ester
- 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).
- 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 | 0.6218 | Relay (... Calculated Property | |
| ΔfG° | -91.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.17 | kJ/mol | Relay (... Calculated Property |
| IE | 10.02 | eV | Relay (... Calculated Property |
| log10WS | -3.56 | Relay (... Calculated Property | |
| logPoct/wat | 2.470 | Crippen Calculated Property | |
| McVol | 136.920 | ml/mol | McGowan Calculated Property |
| Pc | 3677.55 | kPa | Joback Calculated Property |
| Tboil | 550.25 | K | Relay (... Calculated Property |
| Tc | 778.43 | K | Relay (... Calculated Property |
| Tfus | 312.86 | K | Relay (... Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.83; 364.55] | J/mol×K | [679.66; 929.97] | 
|
| Cp,gas | 318.83 | J/mol×K | 679.66 | Joback Calculated Property |
| Cp,gas | 328.44 | J/mol×K | 721.38 | Joback Calculated Property |
| Cp,gas | 337.23 | J/mol×K | 763.10 | Joback Calculated Property |
| Cp,gas | 345.21 | J/mol×K | 804.82 | Joback Calculated Property |
| Cp,gas | 352.41 | J/mol×K | 846.53 | Joback Calculated Property |
| Cp,gas | 358.85 | J/mol×K | 888.25 | Joback Calculated Property |
| Cp,gas | 364.55 | J/mol×K | 929.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonochloridic acid, (4-nitrophenyl)methyl ester.
Sources
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