Chemical Properties of Phenol, 2-(phenylmethyl)- (CAS 28994-41-4)

InChI

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

InChI Key

CDMGNVWZXRKJNS-UHFFFAOYSA-N

Formula

C13H12O

SMILES

Oc1ccccc1Cc1ccccc1

Molecular Weight¹

184.23

CAS

28994-41-4

Other Names

• o-Cresol, «alpha»-phenyl-
• «alpha»-Phenyl-o-cresol
• (2-Hydroxydiphenyl)methane
• o-Benzylphenol
• Delegol T
• 2-Benzylphenol
• 2-(Phenylmethyl)phenol

• 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_fusH : Enthalpy of fusion at a given temperature (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_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	0.5664		Relay (1.0) Calculated Property
ΔcH°solid	-6761.00	kJ/mol	NIST
ΔfG°	128.78	kJ/mol	Joback Calculated Property
ΔfH°gas	49.71	kJ/mol	NIST
ΔfH°solid	-67.00	kJ/mol	NIST
ΔfusH°	23.29	kJ/mol	Joback Calculated Property
ΔsubH°	[116.60; 116.70]	kJ/mol
ΔsubH°	116.60	kJ/mol	NIST
ΔsubH°	116.70	kJ/mol	NIST
ΔvapH°	85.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-2.40		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	[578.00; 585.20]	K
Tboil	585.20	K	NIST
Tboil	585.00	K	NIST
Tboil	578.00 ± 6.00	K	NIST
Tc	846.14	K	Relay (1.0) Calculated Property
Tfus	325.00	K	NIST
Vc	0.540	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.64; 475.38]	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			-8.56590e+01
Coefficient B			1.23560e+00
Coefficient C			-1.00216e-03
Coefficient D			3.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.64	J/mol×K	273.00	Calculated Property
Cp,gas	240.55	J/mol×K	353.78	Calculated Property
Cp,gas	288.91	J/mol×K	434.56	Calculated Property
Cp,gas	329.78	J/mol×K	515.33	Calculated Property
Cp,gas	364.17	J/mol×K	596.11	Calculated Property
Cp,gas	393.14	J/mol×K	676.89	Calculated Property
Cp,gas	417.70	J/mol×K	757.67	Calculated Property
Cp,gas	438.91	J/mol×K	838.44	Calculated Property
Cp,gas	457.79	J/mol×K	919.22	Calculated Property
Cp,gas	475.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0120116; 0.0000291]	Pa×s	[325.00; 619.91]	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			-1.70808e+01
Coefficient B			4.11414e+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.			325.00
Temperature range, max.			619.91
η	0.0120116	Pa×s	325.00	Calculated Property
η	0.0037676	Pa×s	357.77	Calculated Property
η	0.0014356	Pa×s	390.54	Calculated Property
η	0.0006351	Pa×s	423.30	Calculated Property
η	0.0003159	Pa×s	456.07	Calculated Property
η	0.0001726	Pa×s	488.84	Calculated Property
η	0.0001017	Pa×s	521.61	Calculated Property
η	0.0000638	Pa×s	554.38	Calculated Property
η	0.0000422	Pa×s	587.14	Calculated Property
η	0.0000291	Pa×s	619.91	Calculated Property

Similar Compounds

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

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.