- InChI
- InChI=1S/C8H8N2O4/c1-14-8(11)9-6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11)
- InChI Key
- DAWCBJXIGOELKF-UHFFFAOYSA-N
- Formula
- C8H8N2O4
- SMILES
- COC(=O)Nc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 196.16
- CAS
- 1943-87-9
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ΔcH°solid | -3863.50 ± 4.60 | kJ/mol | NIST |
| ΔfG° | 10.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.48 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -427.90 ± 4.60 | kJ/mol | NIST |
| ΔfusH° | 29.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 1.773 | Crippen Calculated Property | |
| McVol | 134.660 | ml/mol | McGowan Calculated Property |
| Pc | 3911.14 | kPa | Joback Calculated Property |
| Tboil | 692.40 | K | Joback Calculated Property |
| Tc | 936.99 | K | Joback Calculated Property |
| Tfus | 487.29 | K | Joback Calculated Property |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.80; 392.86] | J/mol×K | [692.40; 936.99] | 
|
| Cp,gas | 342.80 | J/mol×K | 692.40 | Joback Calculated Property |
| Cp,gas | 353.23 | J/mol×K | 733.16 | Joback Calculated Property |
| Cp,gas | 362.81 | J/mol×K | 773.93 | Joback Calculated Property |
| Cp,gas | 371.54 | J/mol×K | 814.69 | Joback Calculated Property |
| Cp,gas | 379.44 | J/mol×K | 855.46 | Joback Calculated Property |
| Cp,gas | 386.54 | J/mol×K | 896.22 | Joback Calculated Property |
| Cp,gas | 392.86 | J/mol×K | 936.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl (4-nitrophenyl)carbamate.
Sources
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