Chemical Properties of Phenol, 4-fluoro- (CAS 371-41-5)

InChI

InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChI Key

RHMPLDJJXGPMEX-UHFFFAOYSA-N

Formula

C6H5FO

SMILES

Oc1ccc(F)cc1

Molecular Weight¹

112.10

CAS

371-41-5

Other Names

• 4-FLUOROPHENOL
• Fluorophenol
• Phenol, p-fluoro-
• p-Fluorophenol

• 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).
• C_p,solid : Solid phase 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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
PAff	775.00	kJ/mol	NIST
BasG	747.00	kJ/mol	NIST
ΔcH°solid	-2914.80	kJ/mol	NIST
ΔfG°	-237.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.06	kJ/mol	Joback Calculated Property
ΔfusH°	14.20	kJ/mol	Joback Calculated Property
ΔsubH°	73.90 ± 1.40	kJ/mol	NIST
ΔvapH°	43.42	kJ/mol	Joback Calculated Property
IE	[8.77; 8.79]	eV
IE	8.79 ± 0.02	eV	NIST
IE	8.77	eV	NIST
log10WS	-1.35		Crippen Calculated Property
logPoct/wat	1.531		Crippen Calculated Property
McVol	79.280	ml/mol	McGowan Calculated Property
Pc	5414.53	kPa	Joback Calculated Property
Inp	[955.00; 955.00]
Inp	955.00		NIST
Inp	955.00		NIST
Tboil	[458.00; 458.75]	K
Tboil	458.75	K	KDB
Tboil	458.00	K	NIST
Tboil	458.70	K	NIST
Tc	663.74	K	Joback Calculated Property
Tfus	[319.00; 321.35]	K
Tfus	321.35	K	KDB
Tfus	320.40	K	Crystal...
Tfus	321.15	K	NIST
Tfus	319.00 ± 4.00	K	NIST
Vc	0.247	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.19; 198.03]	J/mol×K	[443.25; 663.74]
Cp,gas	154.19	J/mol×K	443.25	Joback Calculated Property
Cp,gas	163.19	J/mol×K	480.00	Joback Calculated Property
Cp,gas	171.42	J/mol×K	516.75	Joback Calculated Property
Cp,gas	178.95	J/mol×K	553.49	Joback Calculated Property
Cp,gas	185.85	J/mol×K	590.24	Joback Calculated Property
Cp,gas	192.19	J/mol×K	626.99	Joback Calculated Property
Cp,gas	198.03	J/mol×K	663.74	Joback Calculated Property
Cp,solid	144.60	J/mol×K	298.15	NIST
ΔvapH	[48.80; 73.90]	kJ/mol	[298.15; 410.00]
ΔvapH	73.90	kJ/mol	298.15	Experim...
ΔvapH	48.80	kJ/mol	410.00	NIST

Similar Compounds

Find more compounds similar to Phenol, 4-fluoro-.

Sources

• Crippen Method
• Crippen Method
• Crystalline and liquid vapour pressures of the four p-monohalophenols: A thermodynamic study of their phase transitions
• Experimental and Computational Thermochemical Study of the Three Monofluorophenol Isomers
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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