Chemical Properties of Phenol, 3-(2-phenylethyl)- (CAS 33675-75-1)

InChI

InChI=1S/C14H14O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11,15H,9-10H2

InChI Key

AIHZDRMFOVBNAV-UHFFFAOYSA-N

Formula

C14H14O

SMILES

Oc1cccc(CCc2ccccc2)c1

Molecular Weight¹

198.26

CAS

33675-75-1

Other Names

• Phenol, m-phenethyl-
• 1-m-Hydroxyphenyl-2-phenylethane
• 3-(2-Phenylethyl)phenol
• 1-(3-Hydroxyphenyl)-2-phenylethane

• ω : Acentric Factor.
• 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_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	0.6327		Relay (1.0) Calculated Property
ΔfG°	137.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-3.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.88	kJ/mol	Joback Calculated Property
ΔvapH°	100.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.30 ± 0.10	eV	NIST
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	3.177		Crippen Calculated Property
McVol	166.470	ml/mol	McGowan Calculated Property
Pc	3261.58	kPa	Joback Calculated Property
Inp	[307.33; 307.33]
Inp	307.33		NIST
Inp	307.33		NIST
Tboil	599.15	K	Relay (1.0) Calculated Property
Tc	866.58	K	Relay (1.0) Calculated Property
Tfus	346.92	K	Relay (1.0) Calculated Property
Vc	0.599	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[204.85; 526.97]	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			-8.65680e+01
Coefficient B			1.33060e+00
Coefficient C			-1.05656e-03
Coefficient D			3.39500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.85	J/mol×K	273.00	Calculated Property
Cp,gas	266.96	J/mol×K	353.78	Calculated Property
Cp,gas	319.99	J/mol×K	434.56	Calculated Property
Cp,gas	365.01	J/mol×K	515.33	Calculated Property
Cp,gas	403.09	J/mol×K	596.11	Calculated Property
Cp,gas	435.30	J/mol×K	676.89	Calculated Property
Cp,gas	462.72	J/mol×K	757.67	Calculated Property
Cp,gas	486.42	J/mol×K	838.44	Calculated Property
Cp,gas	507.48	J/mol×K	919.22	Calculated Property
Cp,gas	526.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009169; 0.0000263]	Pa×s	[412.10; 631.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.72064e+01
Coefficient B			4.20830e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			412.10
Temperature range, max.			631.88
η	0.0009169	Pa×s	412.10	Calculated Property
η	0.0005178	Pa×s	436.52	Calculated Property
η	0.0003107	Pa×s	460.94	Calculated Property
η	0.0001963	Pa×s	485.36	Calculated Property
η	0.0001296	Pa×s	509.78	Calculated Property
η	0.0000888	Pa×s	534.20	Calculated Property
η	0.0000630	Pa×s	558.62	Calculated Property
η	0.0000459	Pa×s	583.04	Calculated Property
η	0.0000344	Pa×s	607.46	Calculated Property
η	0.0000263	Pa×s	631.88	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-(2-phenylethyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.