- InChI
- InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
- InChI Key
- CDAWCLOXVUBKRW-UHFFFAOYSA-N
- Formula
- C6H7NO
- SMILES
- Nc1ccccc1O
- Molecular Weight1
- 109.13
- Other Names
-
- 1-amino-2-hydroxybenzene
- 1-hydroxy-2-aminobenzene
- 2-Amino-1-hydroxybenzene
- 2-Aminophenyl alcohol
- 2-Hydroxyanaline
- 2-aminophenol
- 2-hydroxyaniline
- 2-hydroxybenzenamine
- BASF Ursol 3GA
- Benzene, 1-hydroxy-2-amine-
- Benzofur GG
- C.I. 76520
- C.I. Oxidation Base 17
- Fouramine OP
- NSC 1534
- Nako Yellow 3GA
- Nako Yellow ga
- Paradone Olive Green B
- Pelagol 3GA
- Pelagol Grey GG
- Questiomycin B
- Zoba 3GA
- o-aminohydroxybenzene
- o-aminophenol
- o-hydroxyaniline
- o-hydroxyphenylamine
- phenol, o-amino-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5860 | Relay (1.0) Calculated Property | |
| PAff | 898.80 | kJ/mol | NIST |
| BasG | 866.90 | kJ/mol | NIST |
| ΔcH°solid | [-3170.50; -3160.10] | kJ/mol |
|
| ΔcH°solid | -3160.10 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -3170.50 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 23.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-104.40; -87.10] | kJ/mol |
|
| ΔfH°gas | -104.40 ± 1.70 | kJ/mol | NIST |
| ΔfH°gas | -87.10 ± 1.30 | kJ/mol | NIST |
| ΔfH°solid | [-201.30; -191.00] | kJ/mol |
|
| ΔfH°solid | -201.30 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -191.00 ± 0.90 | kJ/mol | NIST |
| ΔfusH° | 16.32 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [96.90; 103.90] | kJ/mol |
|
| ΔsubH° | 96.90 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 96.90 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 103.90 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 103.90 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 65.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.66 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.72; -0.72] |
|
|
| log10WS | -0.72 | Aq. Solubility Prediction | |
| log10WS | -0.72 | Estimated Solubility | |
| logPoct/wat | 0.974 | Crippen Calculated Property | |
| McVol | 87.490 | ml/mol | McGowan Calculated Property |
| Pc | 6328.92 | kPa | Joback Calculated Property |
| Inp | [1242.00; 1251.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Tboil | 527.54 | K | Relay (1.0) Calculated Property |
| Tc | 777.50 | K | Relay (1.0) Calculated Property |
| Tfus | [446.70; 448.72] | K |
|
| Tfus | 448.72 | K | Thermodynamic study of solvent-free reaction between 17-methyltestosterone and o-aminophenol |
| Tfus | 447.53 | K | Vapour pressures and thermodynamic stability of the three aminophenol isomers |
| Tfus | 447.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 447.90 | K | Aq. Solubility Prediction |
| Tfus | 447.40 ± 0.50 | K | NIST |
| Tfus | 446.70 ± 0.20 | K | NIST |
| Vc | 0.276 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [21.72; 34.00] | kJ/mol | [443.20; 447.60] |
|
| ΔfusH | 31.40 | kJ/mol | 443.20 | NIST |
| ΔfusH | 34.00 | kJ/mol | 447.40 | NIST |
| ΔfusH | 21.72 | kJ/mol | 447.60 | NIST |
| ΔsubH | [93.50; 95.30] | kJ/mol | [332.00; 337.00] |
|
| ΔsubH | 93.50 ± 0.80 | kJ/mol | 332.00 | NIST |
| ΔsubH | 95.30 ± 0.70 | kJ/mol | 337.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.77; 268.74] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.89000e+01 | |||
| Coefficient B | 7.11400e-01 | |||
| Coefficient C | -6.33560e-04 | |||
| Coefficient D | 2.29800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 112.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 143.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 169.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 190.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 208.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 223.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 236.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 247.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 258.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 268.74 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-amino-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Heat capacities of aqueous polar aromatic compounds over a wide range of conditions. Part II: dihydroxybenzenes, aminophenols, diaminobenzenes
- Thermodynamic study of solvent-free reaction between 17-methyltestosterone and o-aminophenol
- Vapour pressures and thermodynamic stability of the three aminophenol isomers
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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