- InChI
- InChI=1S/C17H24N2O4/c1-5-17(4,12-8-9-13(2)3)23-16(20)18-14-10-6-7-11-15(14)19(21)22/h6-7,10-11H,2,5,8-9,12H2,1,3-4H3,(H,18,20)
- InChI Key
- QABQBTCAMHZGAG-UHFFFAOYSA-N
- Formula
- C17H24N2O4
- SMILES
-
C=C(C)CCCC(C)(CC)OC(=O)Nc1cccc
c1[N+](=O)[O-] - Molecular Weight1
- 320.38
- 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 | 0.8750 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| McVol | 257.170 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| Tboil | 630.68 | K | Relay (1.0) Calculated Property |
| Tc | 904.74 | K | Relay (1.0) Calculated Property |
| Tfus | 331.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.72; 870.16] | J/mol×K | [891.65; 1120.68] | 
|
| Cp,gas | 801.72 | J/mol×K | 891.65 | Joback Calculated Property |
| Cp,gas | 815.50 | J/mol×K | 929.82 | Joback Calculated Property |
| Cp,gas | 828.22 | J/mol×K | 967.99 | Joback Calculated Property |
| Cp,gas | 839.97 | J/mol×K | 1006.16 | Joback Calculated Property |
| Cp,gas | 850.82 | J/mol×K | 1044.33 | Joback Calculated Property |
| Cp,gas | 860.85 | J/mol×K | 1082.50 | Joback Calculated Property |
| Cp,gas | 870.16 | J/mol×K | 1120.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, 7,8-dihydrolinalyl ester.
Sources
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