- InChI
- InChI=1S/C17H26N2O4/c1-2-3-4-5-6-7-8-9-14-23-17(20)18-15-10-12-16(13-11-15)19(21)22/h10-13H,2-9,14H2,1H3,(H,18,20)
- InChI Key
- LYVUCZOQWJNQEI-UHFFFAOYSA-N
- Formula
- C17H26N2O4
- SMILES
-
CCCCCCCCCCOC(=O)Nc1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 322.40
- CAS
- 93814-57-4
- 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 | 1.0418 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.284 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1648.43 | kPa | Joback Calculated Property |
| Tboil | 637.46 | K | Relay (1.0) Calculated Property |
| Tc | 914.99 | K | Relay (1.0) Calculated Property |
| Tfus | 361.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [829.31; 896.94] | J/mol×K | [898.32; 1116.00] | 
|
| Cp,gas | 829.31 | J/mol×K | 898.32 | Joback Calculated Property |
| Cp,gas | 843.19 | J/mol×K | 934.60 | Joback Calculated Property |
| Cp,gas | 855.96 | J/mol×K | 970.88 | Joback Calculated Property |
| Cp,gas | 867.68 | J/mol×K | 1007.16 | Joback Calculated Property |
| Cp,gas | 878.38 | J/mol×K | 1043.44 | Joback Calculated Property |
| Cp,gas | 888.12 | J/mol×K | 1079.72 | Joback Calculated Property |
| Cp,gas | 896.94 | J/mol×K | 1116.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-nitro carbanilic acid, n-decyl ester.
Sources
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