- InChI
- InChI=1S/C12H11NO6/c1-2-18-11(14)6-7-12(15)19-10-5-3-4-9(8-10)13(16)17/h3-8H,2H2,1H3/b7-6+
- InChI Key
- FLMSXPCTJTUQGF-VOTSOKGWSA-N
- Formula
- C12H11NO6
- SMILES
-
CCOC(=O)C=CC(=O)Oc1cccc([N+](=
O)[O-])c1 - Molecular Weight1
- 265.22
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7757 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.619 | Crippen Calculated Property | |
| McVol | 184.180 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Inp | [2224.00; 2224.00] |
|
|
| Inp | 2224.00 | NIST | |
| Inp | 2224.00 | NIST | |
| Tboil | 590.43 | K | Relay (1.0) Calculated Property |
| Tc | 831.23 | K | Relay (1.0) Calculated Property |
| Tfus | 336.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.62; 555.56] | J/mol×K | [814.20; 1053.13] |
|
| Cp,gas | 506.62 | J/mol×K | 814.20 | Joback Calculated Property |
| Cp,gas | 517.16 | J/mol×K | 854.02 | Joback Calculated Property |
| Cp,gas | 526.71 | J/mol×K | 893.84 | Joback Calculated Property |
| Cp,gas | 535.30 | J/mol×K | 933.66 | Joback Calculated Property |
| Cp,gas | 542.95 | J/mol×K | 973.49 | Joback Calculated Property |
| Cp,gas | 549.70 | J/mol×K | 1013.31 | Joback Calculated Property |
| Cp,gas | 555.56 | J/mol×K | 1053.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, ethyl 3-nitrophenyl ester.
Sources
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