- InChI
- InChI=1S/C10H11NO6/c1-15-7-5-4-6(11(13)14)9(16-2)8(7)10(12)17-3/h4-5H,1-3H3
- InChI Key
- HVVQDBFINNUQBK-UHFFFAOYSA-N
- Formula
- C10H11NO6
- SMILES
-
COC(=O)c1c(OC)ccc([N+](=O)[O-]
)c1OC - Molecular Weight1
- 241.20
- CAS
- 55776-20-0
- 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 | 0.7714 | Relay (... Calculated Property | |
| ΔfG° | -291.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.12 | kJ/mol | Relay (... Calculated Property |
| IE | 8.74 | eV | Relay (... Calculated Property |
| log10WS | -2.90 | Relay (... Calculated Property | |
| logPoct/wat | 1.399 | Crippen Calculated Property | |
| McVol | 164.600 | ml/mol | McGowan Calculated Property |
| Pc | 2865.80 | kPa | Joback Calculated Property |
| Tboil | 582.20 | K | Relay (... Calculated Property |
| Tc | 832.20 | K | Relay (... Calculated Property |
| Tfus | 353.09 | K | Relay (... Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.21; 494.64] | J/mol×K | [742.79; 975.03] | 
|
| Cp,gas | 440.21 | J/mol×K | 742.79 | Joback Calculated Property |
| Cp,gas | 451.64 | J/mol×K | 781.50 | Joback Calculated Property |
| Cp,gas | 462.17 | J/mol×K | 820.20 | Joback Calculated Property |
| Cp,gas | 471.77 | J/mol×K | 858.91 | Joback Calculated Property |
| Cp,gas | 480.40 | J/mol×K | 897.61 | Joback Calculated Property |
| Cp,gas | 488.04 | J/mol×K | 936.32 | Joback Calculated Property |
| Cp,gas | 494.64 | J/mol×K | 975.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,6-dimethoxy-3-nitrobenzoate.
Sources
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