- InChI
- InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
- InChI Key
- PLIKAWJENQZMHA-UHFFFAOYSA-N
- Formula
- C6H7NO
- SMILES
- Nc1ccc(O)cc1
- Molecular Weight1
- 109.13
- CAS
- 123-30-8
- Other Names
-
- 1-amino-4-hydroxybenzene
- 4-Aminobenzenol
- 4-amino-1-hydroxybenzene
- 4-aminophenol
- 4-hydroxy-1-aminobenzene
- 4-hydroxyaniline
- 4-hydroxybenzenamine
- 4-hydroxyphenylamine
- Activol
- Azol
- BASF Ursol P Base
- Benzofur P
- C.I. 76550
- C.I. Oxidation Base 6
- C.I. Oxidation Base 6A
- Certinal
- Citol
- Durafur Brown RB
- Fouramine P
- Fourrine 84
- Fourrine P Base
- Furro P base
- Kodelon
- NSC 1545
- Nako Brown R
- PAP
- Para-aminophenol
- Paramidophenol
- Paranol
- Pelagol Grey P Base
- Pelagol P Base
- Renal AC
- Rodinal
- Takatol
- Tertral P Base
- UN 2512
- Unal
- Ursol P
- Ursol P Base
- Zoba Brown P Base
- p-Aminofenol
- p-aminophenol
- p-hydroxyaniline
- p-hydroxyphenylamine
- phenol, p-amino-
- ω : Acentric Factor.
- 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).
- Pvap : Vapor 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5918 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-3194.00; -3167.40] | kJ/mol |
|
| ΔcH°solid | -3167.40 ± 0.90 | kJ/mol | NIST |
| ΔcH°solid | -3170.90 ± 0.50 | kJ/mol | NIST |
| ΔcH°solid | -3194.00 | kJ/mol | NIST |
| ΔfG° | 23.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-90.50; -81.50] | kJ/mol |
|
| ΔfH°gas | -90.50 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | -81.50 ± 1.70 | kJ/mol | NIST |
| ΔfH°solid | [-194.10; -168.00] | kJ/mol |
|
| ΔfH°solid | -194.10 | kJ/mol | NIST |
| ΔfH°solid | -190.60 ± 0.90 | kJ/mol | NIST |
| ΔfH°solid | -168.00 | kJ/mol | NIST |
| ΔfusH° | 16.32 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [103.60; 109.10] | kJ/mol |
|
| ΔsubH° | 103.63 ± 0.65 | kJ/mol | NIST |
| ΔsubH° | 103.60 ± 0.70 | kJ/mol | NIST |
| ΔsubH° | 109.10 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | 109.10 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 72.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.42 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.80; -0.80] |
|
|
| log10WS | -0.80 | Aq. Solubility Prediction | |
| log10WS | -0.80 | 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 | [1265.00; 1314.00] |
|
|
| Inp | 1314.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1314.00 | NIST | |
| Inp | 1314.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1314.00 | NIST | |
| Tboil | 550.08 | K | Relay (1.0) Calculated Property |
| Tc | 784.13 | K | Relay (1.0) Calculated Property |
| Tfus | [457.00; 465.00] | K |
|
| Tfus | 460.04 | K | Vapour pressures and thermodynamic stability of the three aminophenol isomers |
| Tfus | 461.53 | K | Aq. Solubility Prediction |
| Tfus | 459.50 ± 0.50 | K | NIST |
| Tfus | 457.00 ± 0.20 | K | NIST |
| Tfus | 465.00 ± 2.00 | K | NIST |
| Tfus | 462.50 ± 1.00 | K | NIST |
| Tfus | 463.40 ± 1.00 | K | NIST |
| Vc | 0.270 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [23.80; 31.20] | kJ/mol | [455.20; 462.50] |
|
| ΔfusH | 23.80 | kJ/mol | 455.20 | NIST |
| ΔfusH | 31.20 | kJ/mol | 459.50 | NIST |
| ΔfusH | 26.00 | kJ/mol | 462.50 | NIST |
| ΔsubH | [92.10; 111.00] | kJ/mol | [335.00; 441.00] |
|
| ΔsubH | 101.10 ± 0.70 | kJ/mol | 335.00 | NIST |
| ΔsubH | 92.10 | kJ/mol | 416.50 | NIST |
| ΔsubH | 111.00 | kJ/mol | 441.00 | 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 |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.03; 2.71] | kPa | [403.30; 458.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.25817e+00 | |||
| Coefficient B | -3.14706e+02 | |||
| Coefficient C | -3.61969e+02 | |||
| Reference | Dunn, 1954 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 403.30 | |||
| Temperature range, max. | 458.50 | |||
| Pvap | 0.03 | kPa | 403.30 | Calculated Property |
| Pvap | 0.09 | kPa | 409.43 | Calculated Property |
| Pvap | 0.20 | kPa | 415.57 | Calculated Property |
| Pvap | 0.36 | kPa | 421.70 | Calculated Property |
| Pvap | 0.59 | kPa | 427.83 | Calculated Property |
| Pvap | 0.89 | kPa | 433.97 | Calculated Property |
| Pvap | 1.26 | kPa | 440.10 | Calculated Property |
| Pvap | 1.69 | kPa | 446.23 | Calculated Property |
| Pvap | 2.17 | kPa | 452.37 | Calculated Property |
| Pvap | 2.71 | kPa | 458.50 | Calculated Property |
| Pvap | [0.03; 2.71] | kPa | [403.30; 458.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.25817e+00 | |||
| Coefficient B | -3.14706e+02 | |||
| Coefficient C | -3.61969e+02 | |||
| Reference | Dunn, 1954, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 403.30 | |||
| Temperature range, max. | 458.50 | |||
| Pvap | 0.03 | kPa | 403.30 | Calculated Property |
| Pvap | 0.09 | kPa | 409.43 | Calculated Property |
| Pvap | 0.20 | kPa | 415.57 | Calculated Property |
| Pvap | 0.36 | kPa | 421.70 | Calculated Property |
| Pvap | 0.59 | kPa | 427.83 | Calculated Property |
| Pvap | 0.89 | kPa | 433.97 | Calculated Property |
| Pvap | 1.26 | kPa | 440.10 | Calculated Property |
| Pvap | 1.69 | kPa | 446.23 | Calculated Property |
| Pvap | 2.17 | kPa | 452.37 | Calculated Property |
| Pvap | 2.71 | kPa | 458.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-amino-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Heat capacities of aqueous polar aromatic compounds over a wide range of conditions. Part II: dihydroxybenzenes, aminophenols, diaminobenzenes
- Vapour pressures and thermodynamic stability of the three aminophenol isomers
- Solubilities of p-Aminophenol in Sulfuric acid + Water from (286.15 to 362.80) K
- Densities and Viscosities of p-Aminophenol in Sulfuric Acid + Water at temperatures from (293.15 to 343.15) K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.