- InChI
- InChI=1S/C12H17NO3/c1-10(2)6-7-16-9-11-4-3-5-12(8-11)13(14)15/h3-5,8,10H,6-7,9H2,1-2H3
- InChI Key
- RUNUPAYXCRHBDZ-UHFFFAOYSA-N
- Formula
- C12H17NO3
- SMILES
-
CC(C)CCOCc1cccc([N+](=O)[O-])c
1 - Molecular Weight1
- 223.27
- 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 | 0.6757 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.158 | Crippen Calculated Property | |
| McVol | 179.470 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | 1762.00 | NIST | |
| Tboil | 570.73 | K | Relay (1.0) Calculated Property |
| Tc | 812.15 | K | Relay (1.0) Calculated Property |
| Tfus | 258.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.47; 559.99] | J/mol×K | [679.44; 906.44] | 
|
| Cp,gas | 483.47 | J/mol×K | 679.44 | Joback Calculated Property |
| Cp,gas | 498.67 | J/mol×K | 717.27 | Joback Calculated Property |
| Cp,gas | 512.84 | J/mol×K | 755.11 | Joback Calculated Property |
| Cp,gas | 526.03 | J/mol×K | 792.94 | Joback Calculated Property |
| Cp,gas | 538.27 | J/mol×K | 830.77 | Joback Calculated Property |
| Cp,gas | 549.58 | J/mol×K | 868.61 | Joback Calculated Property |
| Cp,gas | 559.99 | J/mol×K | 906.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Nitrophenyl) methanol, 3-methylbutyl ether.
Sources
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