- InChI
- InChI=1S/C10H11NO5/c1-8(12)15-6-7-16-10-4-2-9(3-5-10)11(13)14/h2-5H,6-7H2,1H3
- InChI Key
- GWMKUZOZXKQDFF-UHFFFAOYSA-N
- Formula
- C10H11NO5
- SMILES
-
CC(=O)OCCOc1ccc([N+](=O)[O-])c
c1 - Molecular Weight1
- 225.20
- 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° | -167.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 1.537 | Crippen Calculated Property | |
| McVol | 158.730 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | 1918.00 | NIST | |
| Tboil | 710.41 | K | Joback Calculated Property |
| Tc | 944.27 | K | Joback Calculated Property |
| Tfus | 479.40 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.11; 476.93] | J/mol×K | [710.41; 944.27] | 
|
| Cp,gas | 419.11 | J/mol×K | 710.41 | Joback Calculated Property |
| Cp,gas | 431.02 | J/mol×K | 749.39 | Joback Calculated Property |
| Cp,gas | 442.02 | J/mol×K | 788.36 | Joback Calculated Property |
| Cp,gas | 452.10 | J/mol×K | 827.34 | Joback Calculated Property |
| Cp,gas | 461.28 | J/mol×K | 866.31 | Joback Calculated Property |
| Cp,gas | 469.55 | J/mol×K | 905.29 | Joback Calculated Property |
| Cp,gas | 476.93 | J/mol×K | 944.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 2-(4-nitrophenoxy)ethyl ester.
Sources
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