- InChI
- InChI=1S/C16H10ClNO6/c17-11-4-3-5-12(10-11)23-15(19)8-9-16(20)24-14-7-2-1-6-13(14)18(21)22/h1-10H/b9-8+
- InChI Key
- BGDUJOFVJOVGRP-CMDGGOBGSA-N
- Formula
- C16H10ClNO6
- SMILES
-
O=C(C=CC(=O)Oc1ccccc1[N+](=O)[
O-])Oc1cccc(Cl)c1 - Molecular Weight1
- 347.71
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -74.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 229.020 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | 2709.00 | NIST | |
| Tboil | 974.81 | K | Joback Calculated Property |
| Tc | 1237.27 | K | Joback Calculated Property |
| Tfus | 660.73 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.84; 667.82] | J/mol×K | [974.81; 1237.27] | 
|
| Cp,gas | 635.84 | J/mol×K | 974.81 | Joback Calculated Property |
| Cp,gas | 643.87 | J/mol×K | 1018.55 | Joback Calculated Property |
| Cp,gas | 650.73 | J/mol×K | 1062.30 | Joback Calculated Property |
| Cp,gas | 656.49 | J/mol×K | 1106.04 | Joback Calculated Property |
| Cp,gas | 661.21 | J/mol×K | 1149.78 | Joback Calculated Property |
| Cp,gas | 664.97 | J/mol×K | 1193.53 | Joback Calculated Property |
| Cp,gas | 667.82 | J/mol×K | 1237.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-nitrophenyl 3-chlorophenyl ester.
Sources
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