- InChI
- InChI=1S/C10H11NO4/c1-7-9(6-15-8(2)12)4-3-5-10(7)11(13)14/h3-5H,6H2,1-2H3
- InChI Key
- LNLRTUUUVJCCQG-UHFFFAOYSA-N
- Formula
- C10H11NO4
- SMILES
-
CC(=O)OCc1cccc([N+](=O)[O-])c1
C - Molecular Weight1
- 209.20
- 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° | -71.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 1.966 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | 1673.00 | NIST | |
| Tboil | 692.97 | K | Joback Calculated Property |
| Tc | 931.12 | K | Joback Calculated Property |
| Tfus | 469.69 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.70; 452.83] | J/mol×K | [692.97; 931.12] | 
|
| Cp,gas | 393.70 | J/mol×K | 692.97 | Joback Calculated Property |
| Cp,gas | 405.71 | J/mol×K | 732.66 | Joback Calculated Property |
| Cp,gas | 416.84 | J/mol×K | 772.35 | Joback Calculated Property |
| Cp,gas | 427.10 | J/mol×K | 812.05 | Joback Calculated Property |
| Cp,gas | 436.50 | J/mol×K | 851.74 | Joback Calculated Property |
| Cp,gas | 445.08 | J/mol×K | 891.43 | Joback Calculated Property |
| Cp,gas | 452.83 | J/mol×K | 931.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (2-methyl-3-nitrophenyl)methyl ester.
Sources
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