- InChI
- InChI=1S/C11H15NO3/c1-2-3-7-15-9-10-5-4-6-11(8-10)12(13)14/h4-6,8H,2-3,7,9H2,1H3
- InChI Key
- RXQSZDVLVTUWCQ-UHFFFAOYSA-N
- Formula
- C11H15NO3
- SMILES
- CCCCOCc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 209.24
- 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° | 75.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 2.911 | Crippen Calculated Property | |
| McVol | 165.380 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | 1700.00 | NIST | |
| Tboil | 657.00 | K | Joback Calculated Property |
| Tc | 883.75 | K | Joback Calculated Property |
| Tfus | 418.51 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.88; 504.37] | J/mol×K | [657.00; 883.75] | 
|
| Cp,gas | 431.88 | J/mol×K | 657.00 | Joback Calculated Property |
| Cp,gas | 446.22 | J/mol×K | 694.79 | Joback Calculated Property |
| Cp,gas | 459.61 | J/mol×K | 732.58 | Joback Calculated Property |
| Cp,gas | 472.10 | J/mol×K | 770.38 | Joback Calculated Property |
| Cp,gas | 483.70 | J/mol×K | 808.17 | Joback Calculated Property |
| Cp,gas | 494.45 | J/mol×K | 845.96 | Joback Calculated Property |
| Cp,gas | 504.37 | J/mol×K | 883.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Nitrophenyl) methanol, n-butyl ether.
Sources
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