Chemical Properties of Phenol, 3-amino- (CAS 591-27-5)

InChI

InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2

InChI Key

CWLKGDAVCFYWJK-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

Nc1cccc(O)c1

Molecular Weight¹

109.13

CAS

591-27-5

Other Names

• 1-amino-3-hydroxybenzene
• 3-Amino-1-hydroxybenzene
• 3-aminophenol
• 3-hydroxyaniline
• 3-hydroxybenzenamine
• Basf ursol eg
• C.I. 76545
• C.I. Oxidation Base 7
• Fouramine EG
• Fourrine 65
• Fourrine EG
• Furro EG
• Futramine EG
• NSC 1546
• Nako TEG
• Pelagol EG
• Renal EG
• Tertral EG
• Ursol EG
• Zoba EG
• m-Aminofenol
• m-aminophenol
• m-hydroxyaminobenzene
• m-hydroxyaniline
• m-hydroxyphenylamine
• phenol, m-amino-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5931		Relay (1.0) Calculated Property
PAff	898.80	kJ/mol	NIST
BasG	866.90	kJ/mol	NIST
ΔcH°solid	[-3167.40; -3161.20]	kJ/mol
ΔcH°solid	-3161.20 ± 1.20	kJ/mol	NIST
ΔcH°solid	-3167.40 ± 0.60	kJ/mol	NIST
ΔfG°	23.88	kJ/mol	Joback Calculated Property
ΔfH°gas	[-98.60; -89.40]	kJ/mol
ΔfH°gas	-98.60 ± 1.60	kJ/mol	NIST
ΔfH°gas	-89.40 ± 1.60	kJ/mol	NIST
ΔfH°solid	[-200.20; -194.10]	kJ/mol
ΔfH°solid	-200.20 ± 1.20	kJ/mol	NIST
ΔfH°solid	-194.10 ± 1.00	kJ/mol	NIST
ΔfusH°	27.60	kJ/mol	Synthesis and characterization of novel binary organic monotectic and eutectic alloys
ΔsubH°	[101.60; 104.70]	kJ/mol
ΔsubH°	101.60 ± 0.90	kJ/mol	NIST
ΔsubH°	101.60 ± 0.90	kJ/mol	NIST
ΔsubH°	104.70 ± 1.20	kJ/mol	NIST
ΔsubH°	104.70 ± 1.20	kJ/mol	NIST
ΔvapH°	77.64	kJ/mol	Relay (1.0) Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
log10WS	-0.73		Relay (1.0) Calculated Property
logPoct/wat	0.974		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Pc	6328.92	kPa	Joback Calculated Property
Inp	[1335.00; 1335.00]
Inp	1335.00		NIST
Inp	1335.00		NIST
Inp	1335.00		NIST
Inp	1335.00		NIST
Tboil	553.10	K	Relay (1.0) Calculated Property
Tc	803.94	K	Relay (1.0) Calculated Property
Tfus	[394.00; 398.00]	K
Tfus	394.63	K	Vapour pressures and thermodynamic stability of the three aminophenol isomers
Tfus	394.00 ± 0.50	K	NIST
Tfus	398.00 ± 1.00	K	NIST
Tfus	396.00 ± 0.20	K	NIST
Vc	0.272	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[21.95; 23.90]	kJ/mol	[390.70; 399.00]
ΔfusH	23.90	kJ/mol	390.70	NIST
ΔfusH	22.97	kJ/mol	396.00	NIST
ΔfusH	21.95	kJ/mol	396.80	NIST
ΔfusH	22.98	kJ/mol	399.00	NIST
ΔfusH	22.98	kJ/mol	399.00	NIST
ΔsubH	98.80 ± 0.90	kJ/mol	335.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[437.00; 437.20]	K	[1.50; 1.50]
Tboilr	437.20	K	1.50	NIST
Tboilr	437.00	K	1.50	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, 3-amino-.

Mixtures

• Phenol, 3-amino- + Benzene, 1-bromo-4-chloro-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• 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
• Synthesis and characterization of novel binary organic monotectic and eutectic alloys
• Joback 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.