- InChI
- InChI=1S/C11H13NO5/c1-8(2)7-16-11(13)17-10-5-3-4-9(6-10)12(14)15/h3-6,8H,7H2,1-2H3
- InChI Key
- ZFHCIFQZJIAZEI-UHFFFAOYSA-N
- Formula
- C11H13NO5
- SMILES
-
CC(C)COC(=O)Oc1cccc([N+](=O)[O
-])c1 - Molecular Weight1
- 239.22
- 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° | -161.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 2.766 | Crippen Calculated Property | |
| McVol | 172.820 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | [1765.00; 1765.00] |
|
|
| Inp | 1765.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Tboil | 732.85 | K | Joback Calculated Property |
| Tc | 966.70 | K | Joback Calculated Property |
| Tfus | 475.67 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.00; 532.21] | J/mol×K | [732.85; 966.70] |
|
| Cp,gas | 471.00 | J/mol×K | 732.85 | Joback Calculated Property |
| Cp,gas | 483.69 | J/mol×K | 771.82 | Joback Calculated Property |
| Cp,gas | 495.38 | J/mol×K | 810.80 | Joback Calculated Property |
| Cp,gas | 506.06 | J/mol×K | 849.77 | Joback Calculated Property |
| Cp,gas | 515.76 | J/mol×K | 888.75 | Joback Calculated Property |
| Cp,gas | 524.47 | J/mol×K | 927.72 | Joback Calculated Property |
| Cp,gas | 532.21 | J/mol×K | 966.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitrophenol, isoBOC.
Sources
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