- InChI
- InChI=1S/C7H5NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5H
- InChI Key
- IEXRKQFZXJSHOB-UHFFFAOYSA-N
- Formula
- C7H5NO4
- SMILES
- O=COc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 167.12
- CAS
- 1865-01-6
- Other Names
-
- p-Nitrophenyl formate
- Formic acid, 4-nitrophenyl ester
- Formic acid, p-nitrophenyl 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 | 0.6030 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.130 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 4414.96 | kPa | Joback Calculated Property |
| Tboil | 542.66 | K | Relay (1.0) Calculated Property |
| Tc | 779.94 | K | Relay (1.0) Calculated Property |
| Tfus | 372.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.385 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.65; 299.26] | J/mol×K | [614.14; 861.74] | 
|
| Cp,gas | 253.65 | J/mol×K | 614.14 | Joback Calculated Property |
| Cp,gas | 263.00 | J/mol×K | 655.41 | Joback Calculated Property |
| Cp,gas | 271.63 | J/mol×K | 696.67 | Joback Calculated Property |
| Cp,gas | 279.56 | J/mol×K | 737.94 | Joback Calculated Property |
| Cp,gas | 286.80 | J/mol×K | 779.21 | Joback Calculated Property |
| Cp,gas | 293.36 | J/mol×K | 820.48 | Joback Calculated Property |
| Cp,gas | 299.26 | J/mol×K | 861.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrophenyl formate.
Sources
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