- InChI
- InChI=1S/C8H9NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2
- InChI Key
- PWZWTSYUZQZFKE-UHFFFAOYSA-N
- Formula
- C8H9NO3
- SMILES
- O=[N+]([O-])c1cccc(CCO)c1
- Molecular Weight1
- 167.16
- CAS
- 52022-77-2
- Other Names
-
- «beta»-(m-Nitrophenyl)ethanol
- 3-Nitrobenzeneethanol
- 3-Nitrophenethyl alcohol
- m-nitrophenethyl alcohol
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 17.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.130 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| Tboil | 658.12 | K | Joback Calculated Property |
| Tc | 881.82 | K | Joback Calculated Property |
| Tfus | 423.29 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.91; 357.55] | J/mol×K | [658.12; 881.82] | 
|
| Cp,gas | 308.91 | J/mol×K | 658.12 | Joback Calculated Property |
| Cp,gas | 318.61 | J/mol×K | 695.40 | Joback Calculated Property |
| Cp,gas | 327.62 | J/mol×K | 732.69 | Joback Calculated Property |
| Cp,gas | 335.99 | J/mol×K | 769.97 | Joback Calculated Property |
| Cp,gas | 343.74 | J/mol×K | 807.26 | Joback Calculated Property |
| Cp,gas | 350.92 | J/mol×K | 844.54 | Joback Calculated Property |
| Cp,gas | 357.55 | J/mol×K | 881.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 416.70 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to Benzeneethanol, 3-nitro-.
Sources
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