- InChI
- InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
- InChI Key
- HETBKLHJEWXWBM-UHFFFAOYSA-N
- Formula
- C7H4ClNO3
- SMILES
- O=Cc1ccc(Cl)c([N+](=O)[O-])c1
- Molecular Weight1
- 185.56
- CAS
- 16588-34-4
- Other Names
-
- Benzaldehyde, 4-chloro-3-nitro-
- 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).
- 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° | 25.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.061 | Crippen Calculated Property | |
| McVol | 116.960 | ml/mol | McGowan Calculated Property |
| Pc | 4216.56 | kPa | Joback Calculated Property |
| Tboil | 634.13 | K | Joback Calculated Property |
| Tc | 889.95 | K | Joback Calculated Property |
| Tfus | 435.64 | K | Joback Calculated Property |
| Vc | 0.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.66; 290.40] | J/mol×K | [634.13; 889.95] | 
|
| Cp,gas | 250.66 | J/mol×K | 634.13 | Joback Calculated Property |
| Cp,gas | 258.93 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 266.50 | J/mol×K | 719.40 | Joback Calculated Property |
| Cp,gas | 273.40 | J/mol×K | 762.04 | Joback Calculated Property |
| Cp,gas | 279.66 | J/mol×K | 804.68 | Joback Calculated Property |
| Cp,gas | 285.31 | J/mol×K | 847.32 | Joback Calculated Property |
| Cp,gas | 290.40 | J/mol×K | 889.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-3-nitrobenzaldehyde.
Sources
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