- InChI
- InChI=1S/C11H15NO3/c1-3-9(2)15-8-10-5-4-6-11(7-10)12(13)14/h4-7,9H,3,8H2,1-2H3
- InChI Key
- QQSJAWUYUJQDQM-UHFFFAOYSA-N
- Formula
- C11H15NO3
- SMILES
- CCC(C)OCc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 209.24
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6151 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.910 | Crippen Calculated Property | |
| McVol | 165.380 | ml/mol | McGowan Calculated Property |
| Pc | 2616.41 | kPa | Joback Calculated Property |
| Inp | [1652.00; 1652.00] |
|
|
| Inp | 1652.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Tboil | 556.41 | K | Relay (1.0) Calculated Property |
| Tc | 790.52 | K | Relay (1.0) Calculated Property |
| Tfus | 254.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.40; 506.13] | J/mol×K | [656.56; 887.95] |
|
| Cp,gas | 432.40 | J/mol×K | 656.56 | Joback Calculated Property |
| Cp,gas | 447.06 | J/mol×K | 695.12 | Joback Calculated Property |
| Cp,gas | 460.73 | J/mol×K | 733.69 | Joback Calculated Property |
| Cp,gas | 473.45 | J/mol×K | 772.25 | Joback Calculated Property |
| Cp,gas | 485.23 | J/mol×K | 810.82 | Joback Calculated Property |
| Cp,gas | 496.12 | J/mol×K | 849.38 | Joback Calculated Property |
| Cp,gas | 506.13 | J/mol×K | 887.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitrobenzyl alcohol, 1-methylpropyl ether.
Sources
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