Chemical Properties of Benzene, 1-methyl-4-(phenylmethyl)- (CAS 620-83-7)

InChI

InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChI Key

SIYISNUJKMAQBV-UHFFFAOYSA-N

Formula

C14H14

SMILES

Cc1ccc(Cc2ccccc2)cc1

Molecular Weight¹

182.26

CAS

620-83-7

Other Names

• (4-Methylphenyl)phenylmethane
• 1-Methyl-4-(phenylmethyl)benzene
• 1-Methyl-4-benzylbenzene
• 4'-Methyldiphenylmethane
• 4-Benzyltoluene
• 4-Methyldiphenylmethane
• Methane, phenyl-p-tolyl-
• Phenyl-p-tolylmethane
• p-Benzyltoluene
• p-Tolylphenylmethane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid phase 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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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	0.4466		Relay (1.0) Calculated Property
ΔcH°liquid	[-7571.50; -7301.00]	kJ/mol
ΔcH°liquid	-7571.50 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-7301.00	kJ/mol	NIST
ΔfG°	282.19	kJ/mol	Joback Calculated Property
ΔfH°gas	150.00	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	61.50 ± 1.20	kJ/mol	NIST
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	69.50 ± 0.30	kJ/mol	NIST
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	3.586		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2726.86	kPa	Joback Calculated Property
Inp	[1582.00; 1594.00]
Inp	1582.00		NIST
Inp	1594.00		NIST
I	[2144.00; 2185.00]
I	2185.00		NIST
I	2144.00		NIST
Tboil	[546.00; 555.11]	K
Tboil	555.11 ± 0.30	K	NIST
Tboil	552.00 ± 4.00	K	NIST
Tboil	552.00 ± 3.00	K	NIST
Tboil	552.00 ± 4.00	K	NIST
Tboil	546.00 ± 5.00	K	NIST
Tboil	551.00 ± 4.00	K	NIST
Tc	779.03	K	Relay (1.0) Calculated Property
Tfus	[277.73; 277.73]	K
Tfus	277.73 ± 0.20	K	NIST
Tfus	277.73 ± 0.20	K	NIST
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.51; 501.51]	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			-6.33490e+01
Coefficient B			1.11652e+00
Coefficient C			-7.33160e-04
Coefficient D			1.81500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.51	J/mol×K	273.00	Calculated Property
Cp,gas	247.93	J/mol×K	353.78	Calculated Property
Cp,gas	298.29	J/mol×K	434.56	Calculated Property
Cp,gas	342.17	J/mol×K	515.33	Calculated Property
Cp,gas	380.14	J/mol×K	596.11	Calculated Property
Cp,gas	412.78	J/mol×K	676.89	Calculated Property
Cp,gas	440.67	J/mol×K	757.67	Calculated Property
Cp,gas	464.37	J/mol×K	838.44	Calculated Property
Cp,gas	484.46	J/mol×K	919.22	Calculated Property
Cp,gas	501.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037870; 0.0001789]	Pa×s	[277.73; 573.30]	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			-1.14965e+01
Coefficient B			1.64426e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			277.73
Temperature range, max.			573.30
η	0.0037870	Pa×s	277.73	Calculated Property
η	0.0020249	Pa×s	310.57	Calculated Property
η	0.0012204	Pa×s	343.41	Calculated Property
η	0.0008036	Pa×s	376.25	Calculated Property
η	0.0005658	Pa×s	409.10	Calculated Property
η	0.0004197	Pa×s	441.94	Calculated Property
η	0.0003245	Pa×s	474.78	Calculated Property
η	0.0002593	Pa×s	507.62	Calculated Property
η	0.0002130	Pa×s	540.46	Calculated Property
η	0.0001789	Pa×s	573.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[413.38; 584.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48669e+01
Coefficient B			-4.74794e+03
Coefficient C			-8.77220e+01
Temperature range, min.			413.38
Temperature range, max.			584.61
Pvap	1.33	kPa	413.38	Calculated Property
Pvap	2.98	kPa	432.41	Calculated Property
Pvap	6.13	kPa	451.43	Calculated Property
Pvap	11.72	kPa	470.46	Calculated Property
Pvap	21.10	kPa	489.48	Calculated Property
Pvap	36.00	kPa	508.51	Calculated Property
Pvap	58.65	kPa	527.53	Calculated Property
Pvap	91.76	kPa	546.56	Calculated Property
Pvap	138.54	kPa	565.58	Calculated Property
Pvap	202.67	kPa	584.61	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-4-(phenylmethyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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