- InChI
- InChI=1S/C12H16N2O4/c1-2-3-4-8-18-12(15)13-10-6-5-7-11(9-10)14(16)17/h5-7,9H,2-4,8H2,1H3,(H,13,15)
- InChI Key
- RTPZTRBFYLRPGI-UHFFFAOYSA-N
- Formula
- C12H16N2O4
- SMILES
-
CCCCCOC(=O)Nc1cccc([N+](=O)[O-
])c1 - Molecular Weight1
- 252.27
- CAS
- 92848-37-8
- 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° | 43.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.333 | Crippen Calculated Property | |
| McVol | 191.020 | ml/mol | McGowan Calculated Property |
| Pc | 2543.05 | kPa | Joback Calculated Property |
| Tboil | 783.92 | K | Joback Calculated Property |
| Tc | 1010.94 | K | Joback Calculated Property |
| Tfus | 532.37 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.49; 609.70] | J/mol×K | [783.92; 1010.94] | 
|
| Cp,gas | 548.49 | J/mol×K | 783.92 | Joback Calculated Property |
| Cp,gas | 561.07 | J/mol×K | 821.76 | Joback Calculated Property |
| Cp,gas | 572.65 | J/mol×K | 859.59 | Joback Calculated Property |
| Cp,gas | 583.28 | J/mol×K | 897.43 | Joback Calculated Property |
| Cp,gas | 592.97 | J/mol×K | 935.27 | Joback Calculated Property |
| Cp,gas | 601.77 | J/mol×K | 973.11 | Joback Calculated Property |
| Cp,gas | 609.70 | J/mol×K | 1010.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to M-nitro carbanilic acid, n-pentyl ester.
Sources
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