- InChI
- InChI=1S/C12H13NO7/c1-2-19-11(14)7-18-8-12(15)20-10-5-3-9(4-6-10)13(16)17/h3-6H,2,7-8H2,1H3
- InChI Key
- PMTHQAUIUHXPOO-UHFFFAOYSA-N
- Formula
- C12H13NO7
- SMILES
-
CCOC(=O)COCC(=O)Oc1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 283.23
- 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 | 0.8617 | Relay (... Calculated Property | |
| ΔfG° | -384.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.14 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -2.63 | Relay (... Calculated Property | |
| logPoct/wat | 1.080 | Crippen Calculated Property | |
| McVol | 194.350 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Inp | 2699.00 | NIST | |
| Tboil | 617.06 | K | Relay (... Calculated Property |
| Tc | 847.56 | K | Relay (... Calculated Property |
| Tfus | 351.44 | K | Relay (... Calculated Property |
| Vc | 0.701 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.03; 605.29] | J/mol×K | [832.46; 1061.36] | 
|
| Cp,gas | 558.03 | J/mol×K | 832.46 | Joback Calculated Property |
| Cp,gas | 568.71 | J/mol×K | 870.61 | Joback Calculated Property |
| Cp,gas | 578.28 | J/mol×K | 908.76 | Joback Calculated Property |
| Cp,gas | 586.74 | J/mol×K | 946.91 | Joback Calculated Property |
| Cp,gas | 594.06 | J/mol×K | 985.06 | Joback Calculated Property |
| Cp,gas | 600.25 | J/mol×K | 1023.21 | Joback Calculated Property |
| Cp,gas | 605.29 | J/mol×K | 1061.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl 4-nitrophenyl ester.
Sources
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