- InChI
- InChI=1S/C14H10ClNO4/c15-13-7-6-12(16(18)19)8-11(13)9-20-14(17)10-4-2-1-3-5-10/h1-8H,9H2
- InChI Key
- UQHQHWYVXDXGCI-UHFFFAOYSA-N
- Formula
- C14H10ClNO4
- SMILES
-
O=C(OCc1cc([N+](=O)[O-])ccc1Cl
)c1ccccc1 - Molecular Weight1
- 291.69
- 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° | 62.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -153.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.16 | Crippen Calculated Property | |
| logPoct/wat | 3.605 | Crippen Calculated Property | |
| McVol | 197.700 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | 2421.00 | NIST | |
| Tboil | 848.60 | K | Joback Calculated Property |
| Tc | 1112.08 | K | Joback Calculated Property |
| Tfus | 571.11 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.71; 575.89] | J/mol×K | [848.60; 1112.08] | 
|
| Cp,gas | 528.71 | J/mol×K | 848.60 | Joback Calculated Property |
| Cp,gas | 539.35 | J/mol×K | 892.51 | Joback Calculated Property |
| Cp,gas | 548.80 | J/mol×K | 936.43 | Joback Calculated Property |
| Cp,gas | 557.12 | J/mol×K | 980.34 | Joback Calculated Property |
| Cp,gas | 564.36 | J/mol×K | 1024.25 | Joback Calculated Property |
| Cp,gas | 570.60 | J/mol×K | 1068.17 | Joback Calculated Property |
| Cp,gas | 575.89 | J/mol×K | 1112.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, (2-chloro-5-nitrophenyl)methyl ester.
Sources
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