- InChI
- InChI=1S/C18H28N2O4/c1-2-3-4-5-6-7-8-9-12-15-24-18(21)19-16-13-10-11-14-17(16)20(22)23/h10-11,13-14H,2-9,12,15H2,1H3,(H,19,21)
- InChI Key
- YMNIGLJLXAXDNH-UHFFFAOYSA-N
- Formula
- C18H28N2O4
- SMILES
-
CCCCCCCCCCCOC(=O)Nc1ccccc1[N+]
(=O)[O-] - Molecular Weight1
- 336.43
- CAS
- 93999-88-3
- 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° | 94.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.78 | kJ/mol | Joback Calculated Property |
| log10WS | -6.58 | Crippen Calculated Property | |
| logPoct/wat | 5.674 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1527.07 | kPa | Joback Calculated Property |
| Tboil | 921.20 | K | Joback Calculated Property |
| Tc | 1139.10 | K | Joback Calculated Property |
| Tfus | 599.99 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.94; 956.40] | J/mol×K | [921.20; 1139.10] | 
|
| Cp,gas | 887.94 | J/mol×K | 921.20 | Joback Calculated Property |
| Cp,gas | 902.01 | J/mol×K | 957.52 | Joback Calculated Property |
| Cp,gas | 914.95 | J/mol×K | 993.83 | Joback Calculated Property |
| Cp,gas | 926.81 | J/mol×K | 1030.15 | Joback Calculated Property |
| Cp,gas | 937.64 | J/mol×K | 1066.47 | Joback Calculated Property |
| Cp,gas | 947.49 | J/mol×K | 1102.79 | Joback Calculated Property |
| Cp,gas | 956.40 | J/mol×K | 1139.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, n-undecyl ester.
Sources
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