- InChI
- InChI=1S/C8H9NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2
- InChI Key
- YAPAEYFBLRVUMH-UHFFFAOYSA-N
- Formula
- C8H9NO4
- SMILES
- O=[N+]([O-])c1ccc(OCCO)cc1
- Molecular Weight1
- 183.16
- CAS
- 16365-27-8
- Other Names
-
- 2-(p-Nitrophenoxy)ethanol
- Ethanol, 2-(4-nitrophenoxy)-
- «beta»-Hydroxyethyl p-nitrophenyl ether
- p-Nitrophenoxyethanol
- Ethanol, 2-(p-nitrophenoxy)-
- 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).
- 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° | -87.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 0.966 | Crippen Calculated Property | |
| McVol | 128.980 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Tboil | 680.54 | K | Joback Calculated Property |
| Tc | 901.43 | K | Joback Calculated Property |
| Tfus | 445.52 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.45; 379.42] | J/mol×K | [680.54; 901.43] | 
|
| Cp,gas | 331.45 | J/mol×K | 680.54 | Joback Calculated Property |
| Cp,gas | 341.05 | J/mol×K | 717.36 | Joback Calculated Property |
| Cp,gas | 349.99 | J/mol×K | 754.17 | Joback Calculated Property |
| Cp,gas | 358.27 | J/mol×K | 790.99 | Joback Calculated Property |
| Cp,gas | 365.93 | J/mol×K | 827.80 | Joback Calculated Property |
| Cp,gas | 372.97 | J/mol×K | 864.62 | Joback Calculated Property |
| Cp,gas | 379.42 | J/mol×K | 901.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Nitrophenoxy)ethanol.
Sources
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