- InChI
- InChI=1S/C13H8ClNO4/c14-10-3-7-12(8-4-10)19-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H
- InChI Key
- FYLVXSFYEBNIKC-UHFFFAOYSA-N
- Formula
- C13H8ClNO4
- SMILES
-
O=C(Oc1ccc(Cl)cc1)c1ccc([N+](=
O)[O-])cc1 - Molecular Weight1
- 277.66
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7250 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.467 | Crippen Calculated Property | |
| McVol | 183.610 | ml/mol | McGowan Calculated Property |
| Pc | 3042.32 | kPa | Joback Calculated Property |
| Inp | [2225.00; 2225.00] |
|
|
| Inp | 2225.00 | NIST | |
| Inp | 2225.00 | NIST | |
| Tboil | 626.16 | K | Relay (1.0) Calculated Property |
| Tc | 930.40 | K | Relay (1.0) Calculated Property |
| Tfus | 389.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.647 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.52; 520.45] | J/mol×K | [825.72; 1095.18] |
|
| Cp,gas | 475.52 | J/mol×K | 825.72 | Joback Calculated Property |
| Cp,gas | 485.78 | J/mol×K | 870.63 | Joback Calculated Property |
| Cp,gas | 494.85 | J/mol×K | 915.54 | Joback Calculated Property |
| Cp,gas | 502.79 | J/mol×K | 960.45 | Joback Calculated Property |
| Cp,gas | 509.67 | J/mol×K | 1005.36 | Joback Calculated Property |
| Cp,gas | 515.53 | J/mol×K | 1050.27 | Joback Calculated Property |
| Cp,gas | 520.45 | J/mol×K | 1095.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrobenzoic acid, 4-chlorophenyl ester.
Sources
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