- InChI
- InChI=1S/C8H8N2O4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)
- InChI Key
- PCQFJXUTKOUTRW-UHFFFAOYSA-N
- Formula
- C8H8N2O4
- SMILES
- COc1ccc(C(N)=O)cc1[N+](=O)[O-]
- Molecular Weight1
- 196.16
- CAS
- 10397-58-7
- Other Names
-
- 3-nitro-p-anisamide
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7357 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.702 | Crippen Calculated Property | |
| McVol | 134.660 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| Tboil | 588.38 | K | Relay (1.0) Calculated Property |
| Tc | 842.65 | K | Relay (1.0) Calculated Property |
| Tfus | 401.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.10; 393.95] | J/mol×K | [719.74; 973.32] | 
|
| Cp,gas | 347.10 | J/mol×K | 719.74 | Joback Calculated Property |
| Cp,gas | 357.01 | J/mol×K | 762.00 | Joback Calculated Property |
| Cp,gas | 366.06 | J/mol×K | 804.27 | Joback Calculated Property |
| Cp,gas | 374.27 | J/mol×K | 846.53 | Joback Calculated Property |
| Cp,gas | 381.65 | J/mol×K | 888.80 | Joback Calculated Property |
| Cp,gas | 388.20 | J/mol×K | 931.06 | Joback Calculated Property |
| Cp,gas | 393.95 | J/mol×K | 973.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-anisamide, 3-nitro-.
Sources
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