- InChI
- InChI=1S/C10H12N2O4/c1-2-6-16-10(13)11-8-4-3-5-9(7-8)12(14)15/h3-5,7H,2,6H2,1H3,(H,11,13)
- InChI Key
- MQEORIYUQXEHOW-UHFFFAOYSA-N
- Formula
- C10H12N2O4
- SMILES
-
CCCOC(=O)Nc1cccc([N+](=O)[O-])
c1 - Molecular Weight1
- 224.21
- CAS
- 91716-03-9
- Other Names
-
- Carbamic acid, 3-nitrophenyl-, propyl ester
- 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° | 27.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.553 | Crippen Calculated Property | |
| McVol | 162.840 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 738.16 | K | Joback Calculated Property |
| Tc | 973.02 | K | Joback Calculated Property |
| Tfus | 509.83 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.18; 499.78] | J/mol×K | [738.16; 973.02] | 
|
| Cp,gas | 443.18 | J/mol×K | 738.16 | Joback Calculated Property |
| Cp,gas | 454.87 | J/mol×K | 777.30 | Joback Calculated Property |
| Cp,gas | 465.63 | J/mol×K | 816.45 | Joback Calculated Property |
| Cp,gas | 475.47 | J/mol×K | 855.59 | Joback Calculated Property |
| Cp,gas | 484.42 | J/mol×K | 894.73 | Joback Calculated Property |
| Cp,gas | 492.52 | J/mol×K | 933.88 | Joback Calculated Property |
| Cp,gas | 499.78 | J/mol×K | 973.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitro carbanilic acid, n-propyl ester.
Sources
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