- InChI
- InChI=1S/C10H8ClNO4/c11-6-1-7-16-10(13)8-2-4-9(5-3-8)12(14)15/h1-6H,7H2/b6-1+
- InChI Key
- LIVUUKNGTUNKGJ-LZCJLJQNSA-N
- Formula
- C10H8ClNO4
- SMILES
-
O=C(OCC=CCl)c1ccc([N+](=O)[O-]
)cc1 - Molecular Weight1
- 241.63
- 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° | 6.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 2.504 | Crippen Calculated Property | |
| McVol | 160.800 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Inp | 1826.00 | NIST | |
| Tboil | 729.58 | K | Joback Calculated Property |
| Tc | 978.90 | K | Joback Calculated Property |
| Tfus | 482.01 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.58; 442.12] | J/mol×K | [729.58; 978.90] | 
|
| Cp,gas | 392.58 | J/mol×K | 729.58 | Joback Calculated Property |
| Cp,gas | 402.89 | J/mol×K | 771.13 | Joback Calculated Property |
| Cp,gas | 412.31 | J/mol×K | 812.69 | Joback Calculated Property |
| Cp,gas | 420.89 | J/mol×K | 854.24 | Joback Calculated Property |
| Cp,gas | 428.68 | J/mol×K | 895.80 | Joback Calculated Property |
| Cp,gas | 435.74 | J/mol×K | 937.35 | Joback Calculated Property |
| Cp,gas | 442.12 | J/mol×K | 978.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester.
Sources
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