- InChI
- InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
- InChI Key
- BWRBVBFLFQKBPT-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- O=[N+]([O-])c1ccccc1CO
- Molecular Weight1
- 153.14
- CAS
- 612-25-9
- Other Names
-
- Benzyl alcohol, o-nitro-
- o-Nitrobenzyl alcohol
- 2-Nitrobenzyl 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° | 9.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.087 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 4627.70 | kPa | Joback Calculated Property |
| Tboil | 543.20 | K | NIST |
| Tc | 863.19 | K | Joback Calculated Property |
| Tfus | 412.02 | K | Joback Calculated Property |
| Vc | 0.420 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.07; 306.09] | J/mol×K | [635.24; 863.19] | 
|
| Cp,gas | 262.07 | J/mol×K | 635.24 | Joback Calculated Property |
| Cp,gas | 270.91 | J/mol×K | 673.23 | Joback Calculated Property |
| Cp,gas | 279.10 | J/mol×K | 711.22 | Joback Calculated Property |
| Cp,gas | 286.68 | J/mol×K | 749.21 | Joback Calculated Property |
| Cp,gas | 293.68 | J/mol×K | 787.21 | Joback Calculated Property |
| Cp,gas | 300.14 | J/mol×K | 825.20 | Joback Calculated Property |
| Cp,gas | 306.09 | J/mol×K | 863.19 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 441.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, 2-nitro-.
Sources
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