- InChI
- InChI=1S/C19H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-15-25-19(22)20-17-13-12-14-18(16-17)21(23)24/h12-14,16H,2-11,15H2,1H3,(H,20,22)
- InChI Key
- UFIGCSKNLDTPHF-UHFFFAOYSA-N
- Formula
- C19H30N2O4
- SMILES
-
CCCCCCCCCCCCOC(=O)Nc1cccc([N+]
(=O)[O-])c1 - Molecular Weight1
- 350.45
- CAS
- 96062-94-1
- 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 | 1.1122 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.064 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Pc | 1418.64 | kPa | Joback Calculated Property |
| Tboil | 649.67 | K | Relay (1.0) Calculated Property |
| Tc | 933.97 | K | Relay (1.0) Calculated Property |
| Tfus | 345.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [947.24; 1016.50] | J/mol×K | [944.08; 1163.02] | 
|
| Cp,gas | 947.24 | J/mol×K | 944.08 | Joback Calculated Property |
| Cp,gas | 961.51 | J/mol×K | 980.57 | Joback Calculated Property |
| Cp,gas | 974.62 | J/mol×K | 1017.06 | Joback Calculated Property |
| Cp,gas | 986.62 | J/mol×K | 1053.55 | Joback Calculated Property |
| Cp,gas | 997.56 | J/mol×K | 1090.04 | Joback Calculated Property |
| Cp,gas | 1007.50 | J/mol×K | 1126.53 | Joback Calculated Property |
| Cp,gas | 1016.50 | J/mol×K | 1163.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to M-nitro carbanilic acid, n-dodecyl ester.
Sources
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