- InChI
- InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+
- InChI Key
- PFBQVGXIMLXCQB-VMPITWQZSA-N
- Formula
- C11H11NO4
- SMILES
-
CCOC(=O)C=Cc1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 221.21
- CAS
- 953-26-4
- Other Names
-
- Ethyl p-nitrocinnamate
- Ethyl-4-nitrocinnamate
- Cinnamic acid, p-nitro-, ethyl ester
- 4-Nitrozimtsaeure-ethylester
- Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester
- 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 | 0.6323 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.171 | Crippen Calculated Property | |
| McVol | 162.650 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Tboil | 583.06 | K | Relay (1.0) Calculated Property |
| Tc | 800.77 | K | Relay (1.0) Calculated Property |
| Tfus | 359.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.70; 480.85] | J/mol×K | [715.03; 956.93] | 
|
| Cp,gas | 421.70 | J/mol×K | 715.03 | Joback Calculated Property |
| Cp,gas | 433.77 | J/mol×K | 755.35 | Joback Calculated Property |
| Cp,gas | 444.88 | J/mol×K | 795.66 | Joback Calculated Property |
| Cp,gas | 455.10 | J/mol×K | 835.98 | Joback Calculated Property |
| Cp,gas | 464.47 | J/mol×K | 876.29 | Joback Calculated Property |
| Cp,gas | 473.04 | J/mol×K | 916.61 | Joback Calculated Property |
| Cp,gas | 480.85 | J/mol×K | 956.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester.
Sources
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