- InChI
- InChI=1S/C9H11NO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3
- InChI Key
- VWYAWLZEMLQGJH-UHFFFAOYSA-N
- Formula
- C9H11NO5
- SMILES
-
COc1cc(OC)c([N+](=O)[O-])c(OC)
c1 - Molecular Weight1
- 213.19
- CAS
- 14227-18-0
- Other Names
-
- Benzene, 1,3,5-trimethoxy-2-nitro-
- 2,4,6-Trimethoxynitrobenzene
- 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).
- 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° | -171.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.71 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 148.940 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Tboil | 666.04 | K | Joback Calculated Property |
| Tc | 896.96 | K | Joback Calculated Property |
| Tfus | 465.47 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.95; 440.37] | J/mol×K | [666.04; 896.96] | 
|
| Cp,gas | 378.95 | J/mol×K | 666.04 | Joback Calculated Property |
| Cp,gas | 391.13 | J/mol×K | 704.53 | Joback Calculated Property |
| Cp,gas | 402.59 | J/mol×K | 743.01 | Joback Calculated Property |
| Cp,gas | 413.27 | J/mol×K | 781.50 | Joback Calculated Property |
| Cp,gas | 423.15 | J/mol×K | 819.99 | Joback Calculated Property |
| Cp,gas | 432.20 | J/mol×K | 858.48 | Joback Calculated Property |
| Cp,gas | 440.37 | J/mol×K | 896.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nitro-2,4,6-trimethoxybenzene.
Sources
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