- InChI
- InChI=1S/C15H17NO6/c1-2-3-4-10-21-14(17)8-9-15(18)22-13-7-5-6-12(11-13)16(19)20/h5-9,11H,2-4,10H2,1H3/b9-8+
- InChI Key
- RJOFSOVMAPRYIW-CMDGGOBGSA-N
- Formula
- C15H17NO6
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1cccc([N+
](=O)[O-])c1 - Molecular Weight1
- 307.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -173.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 2.790 | Crippen Calculated Property | |
| McVol | 226.450 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | 2445.00 | NIST | |
| Tboil | 882.84 | K | Joback Calculated Property |
| Tc | 1112.43 | K | Joback Calculated Property |
| Tfus | 580.60 | K | Joback Calculated Property |
| Vc | 0.877 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.42; 724.22] | J/mol×K | [882.84; 1112.43] | 
|
| Cp,gas | 670.42 | J/mol×K | 882.84 | Joback Calculated Property |
| Cp,gas | 681.91 | J/mol×K | 921.11 | Joback Calculated Property |
| Cp,gas | 692.35 | J/mol×K | 959.37 | Joback Calculated Property |
| Cp,gas | 701.77 | J/mol×K | 997.64 | Joback Calculated Property |
| Cp,gas | 710.19 | J/mol×K | 1035.90 | Joback Calculated Property |
| Cp,gas | 717.66 | J/mol×K | 1074.17 | Joback Calculated Property |
| Cp,gas | 724.22 | J/mol×K | 1112.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-nitrophenyl pentyl ester.
Sources
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