Chemical Properties of Phenol, 2-iodo- (CAS 533-58-4)

InChI

InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H

InChI Key

KQDJTBPASNJQFQ-UHFFFAOYSA-N

Formula

C6H5IO

SMILES

Oc1ccccc1I

Molecular Weight¹

220.01

CAS

533-58-4

Other Names

• Phenol, o-iodo-
• o-Iodophenol
• 2-Iodophenol
• o-Jodfenol
• 2-Jodfenol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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	0.4394		Relay (1.0) Calculated Property
ΔcH°solid	-2979.80 ± 4.20	kJ/mol	NIST
ΔfG°	15.55	kJ/mol	Joback Calculated Property
ΔfH°gas	8.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.53	kJ/mol	Joback Calculated Property
ΔvapH°	62.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-1.76		Relay (1.0) Calculated Property
logPoct/wat	1.997		Crippen Calculated Property
McVol	103.330	ml/mol	McGowan Calculated Property
Pc	5602.57	kPa	Joback Calculated Property
Inp	[1163.00; 1182.00]
Inp	1182.00		NIST
Inp	1163.00		NIST
Inp	1182.00		NIST
Inp	1182.00		NIST
Inp	1163.00		NIST
Tboil	508.69	K	Relay (1.0) Calculated Property
Tc	819.64	K	Relay (1.0) Calculated Property
Tfus	309.34	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.45; 220.68]	J/mol×K	[537.12; 808.34]
Cp,gas	182.45	J/mol×K	537.12	Joback Calculated Property
Cp,gas	190.59	J/mol×K	582.32	Joback Calculated Property
Cp,gas	197.83	J/mol×K	627.53	Joback Calculated Property
Cp,gas	204.31	J/mol×K	672.73	Joback Calculated Property
Cp,gas	210.19	J/mol×K	717.93	Joback Calculated Property
Cp,gas	215.59	J/mol×K	763.14	Joback Calculated Property
Cp,gas	220.68	J/mol×K	808.34	Joback Calculated Property
η	[0.0000916; 0.0035242]	Pa×s	[353.58; 537.12]
η	0.0035242	Pa×s	353.58	Joback Calculated Property
η	0.0015054	Pa×s	384.17	Joback Calculated Property
η	0.0007290	Pa×s	414.76	Joback Calculated Property
η	0.0003900	Pa×s	445.35	Joback Calculated Property
η	0.0002261	Pa×s	475.94	Joback Calculated Property
η	0.0001400	Pa×s	506.53	Joback Calculated Property
η	0.0000916	Pa×s	537.12	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Phenol, 2-iodo-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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