- InChI
- InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
- InChI Key
- URCWIFSXDARYLY-UHFFFAOYSA-N
- Formula
- C8H9NO3
- SMILES
- Cc1ccc(CO)cc1[N+](=O)[O-]
- Molecular Weight1
- 167.16
- CAS
- 40870-59-5
- Other Names
-
- Benzenemethanol, 4-methyl-3-nitro-
- 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).
- 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 | 0.7229 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.396 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| Tboil | 555.31 | K | Relay (1.0) Calculated Property |
| Tc | 822.06 | K | Relay (1.0) Calculated Property |
| Tfus | 319.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.32; 355.45] | J/mol×K | [663.10; 887.68] | 
|
| Cp,gas | 307.32 | J/mol×K | 663.10 | Joback Calculated Property |
| Cp,gas | 316.86 | J/mol×K | 700.53 | Joback Calculated Property |
| Cp,gas | 325.75 | J/mol×K | 737.96 | Joback Calculated Property |
| Cp,gas | 334.03 | J/mol×K | 775.39 | Joback Calculated Property |
| Cp,gas | 341.72 | J/mol×K | 812.82 | Joback Calculated Property |
| Cp,gas | 348.85 | J/mol×K | 850.25 | Joback Calculated Property |
| Cp,gas | 355.45 | J/mol×K | 887.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-3-nitrobenzyl alcohol.
Sources
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