Chemical Properties of 3-Benzylphenol (CAS 22272-48-6)

InChI

InChI=1S/C13H12O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2

InChI Key

JKFDELMIGLPLAX-UHFFFAOYSA-N

Formula

C13H12O

SMILES

Oc1cccc(Cc2ccccc2)c1

Molecular Weight¹

184.23

CAS

22272-48-6

• 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_fH°_solid : Solid phase 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).
• 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).
• 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
ω	0.5878		Relay (1.0) Calculated Property
ΔcH°solid	-6761.00	kJ/mol	NIST
ΔfG°	128.78	kJ/mol	Joback Calculated Property
ΔfH°gas	48.87	kJ/mol	NIST
ΔfH°solid	-67.00	kJ/mol	NIST
ΔfusH°	23.29	kJ/mol	Joback Calculated Property
ΔsubH°	[115.80; 115.90]	kJ/mol
ΔsubH°	115.80	kJ/mol	NIST
ΔsubH°	115.90	kJ/mol	NIST
ΔvapH°	94.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-2.61		Relay (1.0) Calculated Property
logPoct/wat	2.983		Crippen Calculated Property
McVol	152.380	ml/mol	McGowan Calculated Property
Pc	3650.93	kPa	Joback Calculated Property
Tboil	599.25	K	Relay (1.0) Calculated Property
Tc	855.08	K	Relay (1.0) Calculated Property
Tfus	341.20	K	Relay (1.0) Calculated Property
Vc	0.541	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[377.30; 450.14]	J/mol×K	[631.02; 885.59]
Cp,gas	377.30	J/mol×K	631.02	Joback Calculated Property
Cp,gas	392.00	J/mol×K	673.45	Joback Calculated Property
Cp,gas	405.48	J/mol×K	715.88	Joback Calculated Property
Cp,gas	417.88	J/mol×K	758.31	Joback Calculated Property
Cp,gas	429.36	J/mol×K	800.73	Joback Calculated Property
Cp,gas	440.06	J/mol×K	843.16	Joback Calculated Property
Cp,gas	450.14	J/mol×K	885.59	Joback Calculated Property
η	[0.0000259; 0.0010953]	Pa×s	[400.83; 631.02]
η	0.0010953	Pa×s	400.83	Joback Calculated Property
η	0.0004468	Pa×s	439.20	Joback Calculated Property
η	0.0002105	Pa×s	477.56	Joback Calculated Property
η	0.0001109	Pa×s	515.92	Joback Calculated Property
η	0.0000639	Pa×s	554.29	Joback Calculated Property
η	0.0000395	Pa×s	592.65	Joback Calculated Property
η	0.0000259	Pa×s	631.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Benzylphenol.

Sources

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

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