- InChI
- InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5H,1H3
- InChI Key
- KHWGAWBXQOKXIJ-UHFFFAOYSA-N
- Formula
- C8H7NO3
- SMILES
- Cc1ccc(C=O)cc1[N+](=O)[O-]
- Molecular Weight1
- 165.15
- CAS
- 31680-07-6
- Other Names
-
- Benzaldehyde, 4-methyl-3-nitro-
- 4-Methyl-3-nitrobenzaldehyde
- 3-nitro-p-tolualdehyde
- 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° | 45.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -91.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 1.716 | Crippen Calculated Property | |
| McVol | 118.810 | ml/mol | McGowan Calculated Property |
| Pc | 3911.14 | kPa | Joback Calculated Property |
| Tboil | 619.58 | K | Joback Calculated Property |
| Tc | 866.72 | K | Joback Calculated Property |
| Tfus | 416.99 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.16; 326.71] | J/mol×K | [619.58; 866.72] | 
|
| Cp,gas | 276.16 | J/mol×K | 619.58 | Joback Calculated Property |
| Cp,gas | 286.40 | J/mol×K | 660.77 | Joback Calculated Property |
| Cp,gas | 295.87 | J/mol×K | 701.96 | Joback Calculated Property |
| Cp,gas | 304.60 | J/mol×K | 743.15 | Joback Calculated Property |
| Cp,gas | 312.63 | J/mol×K | 784.34 | Joback Calculated Property |
| Cp,gas | 319.99 | J/mol×K | 825.53 | Joback Calculated Property |
| Cp,gas | 326.71 | J/mol×K | 866.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitro-4-methylbenzaldehyde.
Sources
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